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Office of Scientific and Technical Information
Independent Demand Models Non Linear (Chemical Industry -take or pay)
E-Print Network [OSTI]
casesshippedperweek #12;High Variability Between Forecast and Actual · Demand in relation to the forecast means almostIndependent Demand Models · Non Linear (Chemical Industry - take or pay) · Deterministic Simulation (make to stock - lumpy demand) · Mathematical Programming (family structure - near optimum) · Heuristic
Brock, David
The chemical industry, by country
SciTech Connect (OSTI)
As part of its ACHEMA coverage, Hydrocarbon Processing contacted executives of petrochemical/chemical industry trade associations in 11 countries, seeking views of on the state of the industry. These reports thus provide an added dimension to feature articles in this issue that focus on petrochemical/chemical-product supply/demand trends, economic forecasts, etc. The nations represented here were chosen for commentary because collectively they contain most of the world's petrochemical capacity. Space limitations prohibit the publishing of commentaries from all countries that have petrochemical/chemical capacity. The countries are: Belgium, China, France, Germany, India, Italy, Japan, Korea, The Netherlands, United Kingdom, and the United States.
Not Available
Beijing will be the site for the third ACHEMASIA, international petrochemical and chemical exhibition and conference, May 15--20, 1995. In preparation for this conference, Hydrocarbon Processing contacted executives of petrochemical/chemical industries and trade associations, seeking views on the state of the industry. The Asia-Pacific region is the center of new construction and expanded capacity and also a mixture of mature, developing and emerging petrochemical industries. Established countries must mold and grow with emerging economies as the newcomers access natural resources and develop their own petrochemical infrastructures. The following nation reports focus on product supply/demand trends, economic forecasts, new construction, etc. Space limitations prohibit publishing commentaries from all countries that have petrochemical/chemical capacity. Reports are published from the following countries: Australia, China, Japan, Korea, Malaysia, Philippines, Thailand, and Vietnam.
Methods in Industrial Biotechnology for Chemical Engineers
In keeping with the definition that biotechnology is really no more than a name given to a set of techniques and processes, the authors apply some set of fuzzy techniques to chemical industry problems such as finding the proper proportion of raw mix to control pollution, to study flow rates, to find out the better quality of products. We use fuzzy control theory, fuzzy neural networks, fuzzy relational equations, genetic algorithms to these problems for solutions. When the solution to the problem can have certain concepts or attributes as indeterminate, the only model that can tackle such a situation is the neutrosophic model. The authors have also used these models in this book to study the use of biotechnology in chemical industries. This book has six chapters. First chapter gives a brief description of biotechnology. Second chapter deals will proper proportion of mix of raw materials in cement industries to minimize pollution using fuzzy control theory. Chapter three gives the method of determination of temperature set point for crude oil in oil refineries. Chapter four studies the flow rates in chemical industries using fuzzy neutral networks. Chapter five gives the method of minimization of waste gas flow in chemical industries using fuzzy linear programming. The final chapter suggests when in these studies indeterminancy is an attribute or concept involved, the notion of neutrosophic methods can be adopted.
W. B. Vasantha Kandasamy; Florentin Smarandache
Efficient Nonlinear Optimization with Rigorous Models for Large Scale Industrial Chemical Processes
successfully applied to solve many optimization problems, the focus of both academia and industry on larger and more complicated problems requires further development of numerical algorithms which can provide improved computational efficiency. The primary...
Zhu, Yu
Chemicals Industry Profile | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:YearRound-Up fromDepartmentTieCelebrate Earth DayFuels Chemical Kinetic ModelingChemicals Industry
Broader source: Energy.gov (indexed) [DOE]
up the Petitioner's company are major chemical manufacturing companies, and includes Air Products and Chemicals, Akzo Nobel, Battelle, DuPont, NL Industries, OxyChem, and...
Supply chain network optimization : low volume industrial chemical product
The chemical industry is a highly competitive and low margin industry. Chemical transportation faces stringent safety regulations meaning that Cost-To-Serve (C2S), costs associated with products net flow from manufacturers ...
Dacha, Fred (Frederick Omondi)
The Chemical and Pharmaceutical Industry Susan Brench (1984)
The Chemical and Pharmaceutical Industry Susan Brench (1984) If you have any questions, or would:email@example.com The products and services of the chemical and pharmaceutical industry deliver clean water, vital medicines? · Chemical and pharmaceutical businesses in the UK are a £60 billion industry. · Every day for the past
Goldschmidt, Christina
Reporting Conservation Results in the Chemical Industry
REPORTING CONSERVATION RESULTS IN THE CHEMICAL INDUSTRY Ray E. Doerr Monsanto Company St. Louis, Missouri In 1974, the Manufacturing Chemists Association (MCA) developed an energy rate method for reporting the energy conservation results... % Reduction Total Energy Base Period Energy Production Input Energy Consumption 9 Plant (x10 6 1bs) (x10 Btu) (x10 9 Btu) Rate 1 2 3 4* Fulton 23.3 183.6 216.0 15.0% -.~ Grace 26.7 98.0 120.0 18.3 St. James 33.0 210.0 260.0 19.2 Total 83.0 491. 6...
Doerr, R. E.
Biomedical | Chemical & Biomolecular | Civil & Environmental | Electrical & Computer | Industrial | Mechanical | Petroleum Careers in Chemical Engineering
| Mechanical | Petroleum Careers in Chemical Engineering Career opportunities in chemical engineering that new chemical engineering graduates have an average starting salary of $67,600. The University from industry professionals and participate in activities that promote engineering. Chemical
Azevedo, Ricardo
Oxygen Enrichment in the Process and Chemical Industries
The rapid escalation in energy prices during recent years has resulted in a resurgence of interest in the energy-saving aspects of oxygen enrichment techniques available to the process and chemical industries. Important side benefits which may...
Milne, R. T.
Radio Frequency & Microwave Energy for the Petro Chemical Industry
Electro-Magnetic Energy has finally made its way into the Petro-Chemical market twenty-five years after market acceptance in the Food Processing Industry. Major factors influencing this change are tighter environmental regulations, price competition...
Raburn, R.
Chemical enterprise model and decision-making framework for sustainable chemical product design
Chemical enterprise model and decision-making framework for sustainable chemical product design, LGC (Laboratoire de Ge´nie Chimique), F-31432 Toulouse Cedex 04, France 1. Introduction The chemical often strongly impact the environment and people's health and safety. Indeed chemical industries
Paris-Sud XI, Université de
LLNL Chemical Kinetics Modeling Group
The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.
Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J
Olefin Recovery from Chemical Industry Waste Streams
The objective of this project was to develop a membrane process to separate olefins from paraffins in waste gas streams as an alternative to flaring or distillation. Flaring these streams wastes their chemical feedstock value; distillation is energy and capital cost intensive, particularly for small waste streams.
A.R. Da Costa; R. Daniels; A. Jariwala; Z. He; A. Morisato; I. Pinnau; J.G. Wijmans
Chemical kinetics modeling
This project emphasizes numerical modeling of chemical kinetics of combustion, including applications in both practical combustion systems and in controlled laboratory experiments. Elementary reaction rate parameters are combined into mechanisms which then describe the overall reaction of the fuels being studied. Detailed sensitivity analyses are used to identify those reaction rates and product species distributions to which the results are most sensitive and therefore warrant the greatest attention from other experimental and theoretical research programs. Experimental data from a variety of environments are combined together to validate the reaction mechanisms, including results from laminar flames, shock tubes, flow systems, detonations, and even internal combustion engines.
Westbrook, C.K.; Pitz, W.J. [Lawrence Livermore National Laboratory, CA (United States)
Global Intermodal Tank Container Management for the Chemical Industry
Global Intermodal Tank Container Management for the Chemical Industry Alan L. Erera, Juan C on asset management problems faced by tank container operators, and formulates an operational tank modes: pipeline, bulk tankers, parcel tankers, tank containers, or drums. Pipeline and bulk tankers
Erera, Alan
Enhanced formulations for neutralization of chemical, biological and industrial toxants
DOE Patents [OSTI]
An enhanced formulation and method of making that neutralizes the adverse health effects of both chemical and biological compounds, especially chemical warfare (CW) and biological warfare (BW) agents, and toxic industrial chemicals. The enhanced formulation according to the present invention is non-toxic and non-corrosive and can be delivered by a variety of means and in different phases. The formulation provides solubilizing compounds that serve to effectively render the chemical and biological compounds, particularly CW and BW compounds, susceptible to attack, and at least one reactive compound that serves to attack (and detoxify or kill) the compound. The formulation includes at least one solubilizing agent, a reactive compound, a bleaching activator and water.
Tucker, Mark D. (Albuqueque, NM) [Albuqueque, NM
Reactive formulations for a neutralization of toxic industrial chemicals
Decontamination formulations for neutralization of toxic industrial chemicals, and methods of making and using same. The formulations are effective for neutralizing malathion, hydrogen cyanide, sodium cyanide, butyl isocyanate, carbon disulfide, phosgene gas, capsaicin in commercial pepper spray, chlorine gas, anhydrous ammonia gas; and may be effective at neutralizing hydrogen sulfide, sulfur dioxide, formaldehyde, ethylene oxide, methyl bromide, boron trichloride, fluorine, tetraethyl pyrophosphate, phosphorous trichloride, arsine, and tungsten hexafluoride.
Tucker, Mark D. (Albuqueruqe, NM); Betty, Rita G. (Rio Rancho, NM)
Modeling the semiconductor industry dynamics
The semiconductor industry is an exciting and challenging industry. Strong demand at the application end, plus the high capital intensity and rapid technological innovation in manufacturing, makes it difficult to manage ...
Wu, Kailiang
Chemical production from industrial by-product gases: Final report
The potential for conservation of natural gas is studied and the technical and economic feasibility and the implementation of ventures to produce such chemicals using carbon monoxide and hydrogen from byproduct gases are determined. A survey was performed of potential chemical products and byproduct gas sources. Byproduct gases from the elemental phosphorus and the iron and steel industries were selected for detailed study. Gas sampling, preliminary design, market surveys, and economic analyses were performed for specific sources in the selected industries. The study showed that production of methanol or ammonia from byproduct gas at the sites studied in the elemental phosphorus and the iron and steel industries is technically feasible but not economically viable under current conditions. Several other applications are identified as having the potential for better economics. The survey performed identified a need for an improved method of recovering carbon monoxide from dilute gases. A modest experimental program was directed toward the development of a permselective membrane to fulfill that need. A practical membrane was not developed but further investigation along the same lines is recommended. (MCW)
Lyke, S.E.; Moore, R.H.
Tribo-Chemical Modeling of Copper CMP
TRIBO-CHEMICAL MODELING OF COPPER CMP Shantanu Tripathi 1 ,Technical Area: CMP (Copper) Abstract We are developing antribo-chemical model of copper CMP that considers abrasive
Tripathi, Shantanu; Doyle, Fiona; Dornfeld, David
High-lift chemical heat pump technologies for industrial processes
Traditionally industrial heat pumps (IHPs) have found applications on a process specific basis with reject heat from a process being upgraded and returned to the process. The IHP must be carefully integrated into a process since improper placement may result in an uneconomic application. Industry has emphasized a process integration approach to the design and operation of their plants. Heat pump applications have adopted this approach and the area of applicability was extended by utilizing a process integrated approach where reject heat from one process is upgraded and then used as input for another process. The DOE IHP Program has extended the process integration approach of heat pump application with a plant utility emphasis. In this design philosophy, reject heat from a process is upgraded to plant utility conditions and fed into the plant distribution system. This approach has the advantage that reject heat from any pr@s can be used as input and the output can be used at any location within the plant. Thus the approach can be easily integrated into existing industrial applications and all reject heat streams are potential targets of opportunity. The plant utility approach can not be implemented without having heat pumps with high-lift capabilities (on the order of 65{degree}C). Current heat pumps have only about half the lift capability required. Thus the current emphasis for the DOE IHP Program is the development of high lift chemical heat pumps that can deliver heat more economically to higher heat delivery temperatures. This is achieved with innovative cooling (refrigeration) and heating technologies which are based on advanced cycles and advanced working fluids or a combination of both. This paper details the plan to develop economically competitive, environmentally acceptable heat pump technologies that are capable of providing the delivery temperature and lift required to supply industrial plant utility-grade process heating and/or cooling.
Olszewski, M.; Zaltash, A.
Boundary control for an industrial under-actuated tubular chemical reactor
Ltd. All rights reserved. Keywords: Polystyrene; Tubular reactor; Control; Optimization; IndustrialBoundary control for an industrial under-actuated tubular chemical reactor D. Del Vecchio a , N and studied for an industrial under-actuated tubular chemical reactor. This work presents a case
Chemical kinetics and combustion modeling
The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.
Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)
Biomedical | Chemical & Biomolecular | Civil & Environmental | Electrical & Computer | Industrial | Mechanical | Petroleum Careers in Industrial Engineering
| Mechanical | Petroleum Careers in Industrial Engineering Manufacturing, service and retail industries hire a significant number of industrial engineers. Specific industries include automobile manufacturers, electronics to the US Bureau of Labor Statistics, the 2012 average annual wage for industrial engineers is $82
Glowinski, Roland
Changing Trends in the Bulk Chemicals and Pulp and Paper Industries (released in AEO2005)
Reports and Publications (EIA)
Compared with the experience of the 1990s, rising energy prices in recent years have led to questions about expectations of growth in industrial output, particularly in energy-intensive industries. Given the higher price trends, a review of expected growth trends in selected industries was undertaken as part of the production of Annual Energy Outlook 2005 (AEO). In addition, projections for the industrial value of shipments, which were based on the Standard Industrial Classification (SIC) system in AEO2004, are based on the North American Industry Classification System (NAICS) in AEO2005. The change in industrial classification leads to lower historical growth rates for many industrial sectors. The impacts of these two changes are highlighted in this section for two of the largest energy-consuming industries in the U.S. industrial sector-bulk chemicals and pulp and paper.
Profile of the chemicals industry in California: Californiaindustries of the future program
The U.S. Department of Energy (DOE) Office of Industrial Technologies (OIT) established the Industries of the Future (IOF) program to increase energy efficiency, reduce waste production and to improve competitiveness, currently focusing on nine sectors. The IOF is a partnership strategy involving industry, the research community and the government, working together to identify technology needs, promote industrial partnerships and implement joint measures with all partners involved. The State Industries of the Future (SIOF) program delivers the accomplishments of the national Industries of the Future strategy to the local level, to expand the technology opportunities to a larger number of partners and reach smaller businesses and manufacturers that were not initially involved in the IOF effort. The state programs bring together industry, academia, and state agencies to address the important issues confronting industry in the state. These public-private coalitions facilitate industry solutions locally and enhance economic development. California has started a State Industries of the Future effort, in collaboration with the U.S. Department of Energy. The California Energy Commission (CEC) is leading the SIOF program in California, as part of many other programs to improve the energy efficiency and performance of industries in California. The California State IOF program aims to build a network of participants from industry, academia and government in four selected industrial sectors as a basis for the development of a strategic partnership for industrial energy efficient technology in the state. In California the IOF effort focuses petroleum refining, chemical processing, food processing and electronics. As part of this effort, the SIOF program will develop roadmaps for technology development for the selected sectors. On the basis of the roadmap, the program will develop successful projects with co-funding from state and federal government, and promote industry-specific energy-efficiency. An important element of the SIOF-program is the preparation of R&D roadmaps for each of the selected industries. The roadmap will help to identify priority needs for the participating industries to meet their energy challenges. The roadmap effort builds on the roadmaps developed by DOE, and on the conditions specific for the industry in California. Key to the successful preparation of a roadmap in the selected industries is the development of a profile of the industries. The profile provides a basis for the participants in the roadmap-effort, especially as the structure of the industries in California can be different than in the nation. The sector profiles describe the current economic and energy situation of these industries in California, the processes and energy uses, and the potential future developments in each industry. The profiles are an integral part of the roadmap, to help working group partners to evaluate the industry's R&D needs for their industry in California. In this report, we focus on the chemicals industry. The industry is an important economic factor in the state, providing over 82,300 jobs directly, and more in indirect employment. Value of shipments in 2001 was just under $25.7 Billion, or 6% of all manufacturing in California. There are over 1,500 chemical plants in California, of which 52% are pharmaceutical companies. Many companies operate chemical plants in California. The industry consumes 8% of the electricity and 5% of the natural gas in California. In this report, we start with a description of the chemical industry in the United States and California. This is followed by a discussion of the energy consumption and energy intensity of the Californian chemical industry. Chapter 3 focuses on the main sub-sectors. For each of the sub-sectors a general process description is provided in Chapter 4. Based on this analysis, in Chapter 5, we discuss potential technology developments that can contribute to further improving the energy efficiency in chemical plants, with a focus on the situation in California.
Galitsky, Christina; Worrell, Ernst
US Energy Service Company Industry: History and Business Models
Energy Service Company Industry: History and Business Models Don Gilligan President, NAESCO May 6, 2011 Overview of Presentation * US ESCO industry evolution: Five phases *...
Green alternatives to toxic release inventory (TRI) chemicals in the process industry
Driven by TRI reporting requirements, the chemical process industry is searching for innovative ways to reduce pollution at the source. Distinct environmental advantages of biobased green chemicals (biochemicals) mean are attractive alternatives to petrochemicals. Biochemicals are made from renewable raw materials in biological processes, such as aerobic and anaerobic fermentation, that operate at ambient temperatures and pressures, and produce only nontoxic waste products. Key TRI chemicals and several classes of commodity and intermediate compounds, used on consumer end-products manufacturing, are examined and alternatives are suggested. Specific substitution options for chlorofluorocarbons, industrial solvents, and commodity organic and inorganic chemicals are reviewed. Currently encouraged pollution prevention alternatives in the manufacturing sector are briefly examined for their long-term feasibility such as bioalternatives to bleaching in the pulp & paper industry, solvent cleaning in the electronics and dry cleaning industries, and using petroleum-based feedstocks in the plastics industry. Total life cycle and cost/benefit analyses are employed to determine whether biochemicals are environmentally feasible and commercially viable as pollution prevention tools. Currently available green chemicals along with present and projected costs and premiums are also presented. Functional compatibility of biochemicals with petrochemicals and bioprocessing systems with conventional chemical processing methods are explored. This review demonstrates that biochemicals can be used cost effectively in certain industrial chemical operations due to their added environmental benefits.
Ahmed, I.; Baron, J.; Hamilton, C. [Booz-Allen & Hamilton Inc., McLean, VA (United States)
Chemical Reactor Models of Digestion Modulation
Chemical Reactor Models of Digestion Modulation William Wolesensky & J. David Logan Department give an overview of the application of chemical reactor theory to models of digestion processes and indicate how those models extend to eco-physiological questions of modulation of digestion and feeding
Logan, David
Iron and steel industry process model
The iron and steel industry process model depicts expected energy-consumption characteristics of the iron and steel industry and ancillary industries for the next 25 years by means of a process model of the major steps in steelmaking, from ore mining and scrap recycling to the final finishing of carbon, alloy, and stainless steel into steel products such as structural steel, slabs, plates, tubes, and bars. Two plant types are modeled: fully integrated mills and mini-mills. User-determined inputs into the model are as follows: projected energy and materials prices; projected costs of capacity expansion and replacement; energy-conserving options, both operating modes and investments; the internal rate of return required on investment; and projected demand for finished steel. Nominal input choices in the model for the inputs listed above are as follows: National Academy of Sciences Committee on Nuclear and Alternative Energy Systems Demand Panel nominal energy-price projections for oil, gas, distillates, residuals, and electricity and 1975 actual prices for materials; actual 1975 costs; new technologies added; 15% after taxes; and 1975 actual demand with 1.5%/y growth. The model reproduces the base-year (1975) actual performance of the industry; then, given the above nominal input choices, it projects modes of operation and capacity expansion that minimize the cost of meeting the given final demands for each of 5 years, each year being the midpoint of a 5-year interval. The output of the model includes the following: total energy use and intensity (Btu/ton) by type, by process, and by time period; energy conservation options chosen; utilization rates for existing capacity; capital-investment decisions for capacity expansion.
Sparrow, F.T.; Pilati, D.; Dougherty, T.; McBreen, E.; Juang, L.L.
Developing system-based leading indicators for proactive risk management in the chemical processing industry
The chemical processing industry has faced challenges with achieving improvements in safety performance, and accidents continue to occur. When accidents occur, they usually have a confluence of multiple factors, suggesting ...
Khawaji, Ibrahim A. (Ibrahim Abdullah)
Adjustable Speed Drives in the U.S. Petroleum Refining, Petrochemical, and Chemical Industries
This paper describes applications and incentives for the use of variable frequency drivers (VFD) in the petroleum refining, petrochemical, and chemical industries. VFDs are a particular type of adjustable speed driver (ASD) found prevalently...
Foley, D. J.; Chodorowski, A.
Transformation of Sorbitol to Biofuels by Heterogeneous Catalysis: Chemical and Industrial
Transformation of Sorbitol to Biofuels by Heterogeneous Catalysis: Chemical and Industrial ainsi que des exemples d'applications industrielles. Abstract -- Transformation of Sorbitol to Biofuels and biodiesel production led to first generation biofuels. Nowadays, research is focused on lignocellulosic
Boyer, Edmond
Industrial Revolutions and Consumption: A Common Model to the Various Periods of Industrialization
Industrial Revolutions and Consumption: A Common Model to the Various Periods of Industrialization and establish a plausible link between consumption structure evolutions and industrial revolutions. In particular, we show that an industrial revolution starts with a "smithian growth process", which is demand
Industry - Specific Energy Conservation Opportunities in Chemical Plants
During the second and third quarters of 1978, the process design function of Union Carbide's Chemicals and Plastics Division's Engineering Department prepared project energy statements for eight major capital projects. These eight statements listed...
McBride, R. B.
2009Asia-Pacific International Chemical Industry Exhibition PACIFIC INTERNATIONAL EXHIBITION (BEIJING) CO., LTD.
The Sixth Sino-US Chemical Engineering Forum Exhibition Chemical Industry Achievement Exhibition to remember, and the relevant local societies in various provinces and cities. Overseas Organizations to Support Exhibition of energy commodities and resourses in the world marketplace has appeared the trend to decrease, which could
Jayaram, Bhyravabotla
Analysis and Clustering of Model Clones: An Automotive Industrial Experience
Analysis and Clustering of Model Clones: An Automotive Industrial Experience Manar H. Alalfi, James similarity in industrial automotive models. We apply our model clone detection tool, SIMONE, to identify and suggests better ways to maintain them. I. INTRODUCTION In todays automotive industry, models are widely
Cordy, James R.
Sponsors of CIEEDAC: Environment Canada, Natural Resources Canada, Canadian Industry Program for Energy Conservation, Aluminium Industry Association, Canadian Chemical Producers' Association, Canadian Electricity
for Energy Conservation, Aluminium Industry Association, Canadian Chemical Producers' Association, Canadian for Energy Conservation and Environment Canada who support the work of CIEEDAC though their sponsorship
Incremental Integration Tools for Chemical Engineering: An Industrial Application of Triple Graph
and the components of the chemical plant, simulation models for steady-state and dynamic simulations, etc. Design representations of a chemical plant have to be kept consistent with each other. Incremental integration tools). In chemical engineering design, a chemical plant is described from different per- spectives by a set
Westfechtel, Bernhard
Characterizing emerging industrial technologies in energy models
Conservation supply curves are a common tool in economic analysis. As such, they provide an important opportunity to include a non-linear representation of technology and technological change in economy-wide models. Because supply curves are closely related to production isoquants, we explore the possibility of using bottom-up technology assessments to inform top-down representations of energy models of the U.S. economy. Based on a recent report by LBNL and ACEEE on emerging industrial technologies within the United States, we have constructed a supply curve for 54 such technologies for the year 2015. Each of the selected technologies has been assessed with respect to energy efficiency characteristics, likely energy savings by 2015, economics, and environmental performance, as well as needs for further development or implementation of the technology. The technical potential for primary energy savings of the 54 identified technologies is equal to 3.54 Quads, or 8.4 percent of the assume d2015 industrial energy consumption. Based on the supply curve, assuming a discount rate of 15 percent and 2015 prices as forecasted in the Annual Energy Outlook2002, we estimate the economic potential to be 2.66 Quads - or 6.3 percent of the assumed forecast consumption for 2015. In addition, we further estimate how much these industrial technologies might contribute to standard reference case projections, and how much additional energy savings might be available assuming a different mix of policies and incentives. Finally, we review the prospects for integrating the findings of this and similar studies into standard economic models. Although further work needs to be completed to provide the necessary link between supply curves and production isoquants, it is hoped that this link will be a useful starting point for discussion with developers of energy-economic models.
Laitner, John A. (Skip); Worrell, Ernst; Galitsky, Christina; Hanson, Donald A.
Federal agencies active in chemical industry-related research and development
The Energy Policy Act of 1992 calls for a program to further the commercialization of renewable energy and energy efficient technologies for the industrial sector.. The primary objective of the Office of Industrial Technologies Chemical Industry Team is to work in partnership with the US chemical industry to maximize economic, energy, and environmental benefits through research and development of innovative technologies. This document was developed to inventory organizations within the federal government on current chemical industry-related research and development. While an amount of funding or number of projects specifically relating to chemical industry research and development was not defined in all organizations, identified were about 60 distinct organizations representing 7 cabinet-level departments and 4 independent agencies, with research efforts exceeding $3.5 billion in fiscal year 1995. Effort were found to range from less than $500 thousand per year at the Departments of Agriculture and the Interior to over $100 million per year at the Departments of Commerce, Defense, Energy, and Health and Human Services and the National Aeronautics and Space Administration. The total number of projects in these programs exceeded 10,000. This document is complete to the extent that agencies volunteered information. Additions, corrections, and changes are encouraged and will be incorporated in future revisions.
Policy modeling for industrial energy use
The international workshop on Policy Modeling for Industrial Energy Use was jointly organized by EETA (Professional Network for Engineering Economic Technology Analysis) and INEDIS (International Network for Energy Demand Analysis in the Industrial Sector). The workshop has helped to layout the needs and challenges to include policy more explicitly in energy-efficiency modeling. The current state-of-the-art models have a proven track record in forecasting future trends under conditions similar to those faced in the recent past. However, the future of energy policy in a climate-restrained world is likely to demand different and additional services to be provided by energy modelers. In this workshop some of the international models used to make energy consumption forecasts have been discussed as well as innovations to enable the modeling of policy scenarios. This was followed by the discussion of future challenges, new insights in the data needed to determine the inputs into energy model s, and methods to incorporate decision making and policy in the models. Based on the discussion the workshop participants came to the following conclusions and recommendations: Current energy models are already complex, and it is already difficult to collect the model inputs. Hence, new approaches should be transparent and not lead to extremely complex models that try to ''do everything''. The model structure will be determined by the questions that need to be answered. A good understanding of the decision making framework of policy makers and clear communication on the needs are essential to make any future energy modeling effort successful. There is a need to better understand the effects of policy on future energy use, emissions and the economy. To allow the inclusion of policy instruments in models, evaluation of programs and instruments is essential, and need to be included in the policy instrument design. Increased efforts are needed to better understand the effects of innovative (no n-monetary) policy instruments through evaluation and to develop approaches to model both conventional and innovative policies. The explicit modeling of barriers and decision making in the models seems a promising way to enable modeling of conventional and innovative policies. A modular modeling approach is essential to not only provide transparency, but also to use the available resources most effectively and efficiently. Many large models have been developed in the past, but have been abandoned after only brief periods of use. A development path based on modular building blocks needs the establishment of a flexible but uniform modeling framework. The leadership of international agencies and organizations is essential in the establishment of such a framework. A preference is given for ''softlinks'' between different modules and models, to increase transparency and reduce complexity. There is a strong need to improve the efficiency of data collection and interpretation efforts to produce reliable model inputs. The workshop participants support the need for the establishment of an (in-)formal exchanges of information, as well as modeling approaches. The development of an informal network of research institutes and universities to help build a common dataset and exchange ideas on specific areas is proposed. Starting with an exchange of students would be a relative low-cost way to start such collaboration. It would be essential to focus on specific topics. It is also essential to maintain means of regular exchange of ideas between researchers in the different focus points.
Worrell, Ernst; Park, Hi-Chun; Lee, Sang-Gon; Jung, Yonghun; Kato, Hiroyuki; Ramesohl, Stephan; Boyd, Gale; Eichhammer, Wolfgang; Nyboer, John; Jaccard, Mark; Nordqvist, Joakim; Boyd, Christopher; Klee, Howard; Anglani, Norma; Biermans, Gijs
An internship in the agricultural chemical industry: Miles Inc.
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Adams, Sharla K
HVAC component data modeling using industry foundation classes
HVAC Component Data Modeling Using Industry Foundationof a major extension of the HVAC part of the IFC data model.generic approach for handling HVAC components. This includes
Bazjanac, Vladimir; Forester, James; Haves, Philip; Sucic, Darko; Xu, Peng
Chemical Kinetic Modeling of Advanced Transportation Fuels
Development of detailed chemical kinetic models for advanced petroleum-based and nonpetroleum based fuels is a difficult challenge because of the hundreds to thousands of different components in these fuels and because some of these fuels contain components that have not been considered in the past. It is important to develop detailed chemical kinetic models for these fuels since the models can be put into engine simulation codes used for optimizing engine design for maximum efficiency and minimal pollutant emissions. For example, these chemistry-enabled engine codes can be used to optimize combustion chamber shape and fuel injection timing. They also allow insight into how the composition of advanced petroleum-based and non-petroleum based fuels affect engine performance characteristics. Additionally, chemical kinetic models can be used separately to interpret important in-cylinder experimental data and gain insight into advanced engine combustion processes such as HCCI and lean burn engines. The objectives are: (1) Develop detailed chemical kinetic reaction models for components of advanced petroleum-based and non-petroleum based fuels. These fuels models include components from vegetable-oil-derived biodiesel, oil-sand derived fuel, alcohol fuels and other advanced bio-based and alternative fuels. (2) Develop detailed chemical kinetic reaction models for mixtures of non-petroleum and petroleum-based components to represent real fuels and lead to efficient reduced combustion models needed for engine modeling codes. (3) Characterize the role of fuel composition on efficiency and pollutant emissions from practical automotive engines.
PItz, W J; Westbrook, C K; Herbinet, O
Online Modeling in the Process Industry for Energy Optimization
"This paper discusses how steady state models are being used in the process industry to perform online energy optimization of steam and electrical systems. It presents process demands commonly found in the processing industry in terms of steam...
Alexander, J.
This chapter addresses past, ongoing, and short (to 2010) and medium-term (to 2030) future actions that can be taken to mitigate GHG emissions from the manufacturing and process industries. Globally, and in most countries, CO{sub 2} accounts for more than 90% of CO{sub 2}-eq GHG emissions from the industrial sector (Price et al., 2006; US EPA, 2006b). These CO{sub 2} emissions arise from three sources: (1) the use of fossil fuels for energy, either directly by industry for heat and power generation or indirectly in the generation of purchased electricity and steam; (2) non-energy uses of fossil fuels in chemical processing and metal smelting; and (3) non-fossil fuel sources, for example cement and lime manufacture. Industrial processes also emit other GHGs, e.g.: (1) Nitrous oxide (N{sub 2}O) is emitted as a byproduct of adipic acid, nitric acid and caprolactam production; (2) HFC-23 is emitted as a byproduct of HCFC-22 production, a refrigerant, and also used in fluoroplastics manufacture; (3) Perfluorocarbons (PFCs) are emitted as byproducts of aluminium smelting and in semiconductor manufacture; (4) Sulphur hexafluoride (SF{sub 6}) is emitted in the manufacture, use and, decommissioning of gas insulated electrical switchgear, during the production of flat screen panels and semiconductors, from magnesium die casting and other industrial applications; (5) Methane (CH{sub 4}) is emitted as a byproduct of some chemical processes; and (6) CH{sub 4} and N{sub 2}O can be emitted by food industry waste streams. Many GHG emission mitigation options have been developed for the industrial sector. They fall into three categories: operating procedures, sector-wide technologies and process-specific technologies. A sampling of these options is discussed in Sections 7.2-7.4. The short- and medium-term potential for and cost of all classes of options are discussed in Section 7.5, barriers to the application of these options are addressed in Section 7.6 and the implication of industrial mitigation for sustainable development is discussed in Section 7.7. Section 7.8 discusses the sector's vulnerability to climate change and options for adaptation. A number of policies have been designed either to encourage voluntary GHG emission reductions from the industrial sector or to mandate such reductions. Section 7.9 describes these policies and the experience gained to date. Co-benefits of reducing GHG emissions from the industrial sector are discussed in Section 7.10. Development of new technology is key to the cost-effective control of industrial GHG emissions. Section 7.11 discusses research, development, deployment and diffusion in the industrial sector and Section 7.12, the long-term (post-2030) technologies for GHG emissions reduction from the industrial sector. Section 7.13 summarizes gaps in knowledge.
Bernstein, Lenny; Roy, Joyashree; Delhotal, K. Casey; Harnisch, Jochen; Matsuhashi, Ryuji; Price, Lynn; Tanaka, Kanako; Worrell, Ernst; Yamba, Francis; Fengqi, Zhou; de la Rue du Can, Stephane; Gielen, Dolf; Joosen, Suzanne; Konar, Manaswita; Matysek, Anna; Miner, Reid; Okazaki, Teruo; Sanders, Johan; Sheinbaum Parado, Claudia
Results from modeling and simulation of chemical downstream etch systems
This report summarizes modeling work performed at Sandia in support of Chemical Downstream Etch (CDE) benchmark and tool development programs under a Cooperative Research and Development Agreement (CRADA) with SEMATECH. The Chemical Downstream Etch (CDE) Modeling Project supports SEMATECH Joint Development Projects (JDPs) with Matrix Integrated Systems, Applied Materials, and Astex Corporation in the development of new CDE reactors for wafer cleaning and stripping processes. These dry-etch reactors replace wet-etch steps in microelectronics fabrication, enabling compatibility with other process steps and reducing the use of hazardous chemicals. Models were developed at Sandia to simulate the gas flow, chemistry and transport in CDE reactors. These models address the essential components of the CDE system: a microwave source, a transport tube, a showerhead/gas inlet, and a downstream etch chamber. The models have been used in tandem to determine the evolution of reactive species throughout the system, and to make recommendations for process and tool optimization. A significant part of this task has been in the assembly of a reasonable set of chemical rate constants and species data necessary for successful use of the models. Often the kinetic parameters were uncertain or unknown. For this reason, a significant effort was placed on model validation to obtain industry confidence in the model predictions. Data for model validation were obtained from the Sandia Molecular Beam Mass Spectrometry (MBMS) experiments, from the literature, from the CDE Benchmark Project (also part of the Sandia/SEMATECH CRADA), and from the JDP partners. The validated models were used to evaluate process behavior as a function of microwave-source operating parameters, transport-tube geometry, system pressure, and downstream chamber geometry. In addition, quantitative correlations were developed between CDE tool performance and operation set points.
Meeks, E.; Vosen, S.R.; Shon, J.W.; Larson, R.S.; Fox, C.A.; Buchenauer
Energy use and energy intensity of the U.S. chemical industry
The U.S. chemical industry is the largest in the world, and responsible for about 11% of the U.S. industrial production measured as value added. It consumes approximately 20% of total industrial energy consumption in the U.S. (1994), and contributes in similar proportions to U.S. greenhouse gas emissions. Surprisingly, there is not much information on energy use and energy intensity in the chemical industry available in the public domain. This report provides detailed information on energy use and energy intensity for the major groups of energy-intensive chemical products. Ethylene production is the major product in terms of production volume of the petrochemical industry. The petrochemical industry (SIC 2869) produces a wide variety of products. However, most energy is used for a small number of intermediate compounds, of which ethylene is the most important one. Based on a detailed assessment we estimate fuel use for ethylene manufacture at 520 PJ (LHV), excluding feedstock use. Energy intensity is estimated at 26 GJ/tonne ethylene (LHV), excluding feedstocks.The nitrogenous fertilizer production is a very energy intensive industry, producing a variety of fertilizers and other nitrogen-compounds. Ammonia is the most important intermediate chemical compound, used as basis for almost all products. Fuel use is estimated at 268 PJ (excluding feedstocks) while 368 PJ natural gas is used as feedstock. Electricity consumption is estimated at 14 PJ. We estimate the energy intensity of ammonia manufacture at 39.3 GJ/tonne (including feedstocks, HHV) and 140 kWh/tonne, resulting in a specific primary energy consumption of 40.9 GJ/tonne (HHV), equivalent to 37.1 GJ/tonne (LHV). Excluding natural gas use for feedstocks the primary energy consumption is estimated at 16.7 GJ/tonne (LHV). The third most important product from an energy perspective is the production of chlorine and caustic soda. Chlorine is produced through electrolysis of a salt-solution. Chlorine production is the main electricity consuming process in the chemical industry, next to oxygen and nitrogen production. We estimate final electricity use at 173 PJ (48 TWh) and fuel use of 38 PJ. Total primary energy consumption is estimated at 526 PJ (including credits for hydrogen export). The energy intensity is estimated at an electricity consumption of 4380 kWh/tonne chlorine and fuel consumption of 3.45 GJ/tonne chlorine, where all energy use is allocated to chlorine production. Assuming an average power generation efficiency of 33% the primary energy consumption is estimated at 47.8 GJ/tonne chlorine (allocating all energy use to chlorine).
Worrell, E.; Phylipsen, D.; Einstein, D.; Martin, N.
Waste processing and pollution in the chemical and petrochemical industries. (Latest citations from the NTIS database). Published Search
The bibliography contains citations concerning techniques and equipment used for pollution control in the chemical and petrochemical industries. Topics include emissions investigations, recycling and materials recovery studies, and standards for specific industries. Sources, site hazard evaluations, and the toxicity of specific chemicals are also discussed. (Contains 250 citations and includes a subject term index and title list.)
Waste processing and pollution in the chemical and petrochemical industries. (Latest citations from the NTIS bibliographic database). Published Search
The bibliography contains citations concerning techniques and equipment used for pollution control in the chemical and petrochemical industries. Topics include emissions investigations, recycling and materials recovery studies, and standards for specific industries. Sources, site hazard evaluations, and the toxicity of specific chemicals are also discussed. (Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)
Measurements and Models for Hazardous chemical and Mixed Wastes
Mixed solvent aqueous waste of various chemical compositions constitutes a significant fraction of the total waste produced by industry in the United States. Not only does the chemical process industry create large quantities of aqueous waste, but the majority of the waste inventory at the DOE sites previously used for nuclear weapons production is mixed solvent aqueous waste. In addition, large quantities of waste are expected to be generated in the clean-up of those sites. In order to effectively treat, safely handle, and properly dispose of these wastes, accurate and comprehensive knowledge of basic thermophysical properties is essential. The goal of this work is to develop a phase equilibrium model for mixed solvent aqueous solutions containing salts. An equation of state was sought for these mixtures that (a) would require a minimum of adjustable parameters and (b) could be obtained from a available data or data that were easily measured. A model was developed to predict vapor composition and pressure given the liquid composition and temperature. It is based on the Peng-Robinson equation of state, adapted to include non-volatile and salt components. The model itself is capable of predicting the vapor-liquid equilibria of a wide variety of systems composed of water, organic solvents, salts, nonvolatile solutes, and acids or bases. The representative system o water + acetone + 2-propanol + NaNo3 was selected to test and verify the model. Vapor-liquid equilibrium and phase density measurements were performed for this system and its constituent binaries.
Laurel A. Watts; Cynthia D. Holcomb; Stephanie L. Outcalt; Beverly Louie; Michael E. Mullins; Tony N. Rogers
Scope for industrial applications of production scheduling models and
Computers and Chemical Engineering 62 (2014) 161 193 © ABB Group March 18, 2014 | Slide 2 #12 learned and success stories on real industrial scheduling implementations General guidelines and examples and scheduling © ABB Group March 18, 2014 | Slide 5 #12;Where is scheduling "located" Traditional system
Grossmann, Ignacio E.
Document: P1332 Category: Physical Sciences, Chemical/Materials License Status: Available for licensing Texas Industry Cluster: Petroleum Refining & Chemical Products
for licensing Texas Industry Cluster: Petroleum Refining & Chemical Products Lower-cost fuel cells ProblemInventors Document: P1332 Category: Physical Sciences, Chemical/Materials License Status: Available effective strategies government can pursue for cutting air emissions, responding to climate change, reducing
Lightsey, Glenn
Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries: Main Report
This report assesses steam generation and use in the pulp and paper, chemical, and petroleum refining industries, and estimates the potential for energy savings from implementation of steam system performance and efficiency improvements.
A Chemical Kinetic Model of Transcriptional Elongation
A chemical kinetic model of the elongation dynamics of RNA polymerase along a DNA sequence is introduced. The proposed model governs the discrete movement of the RNA polymerase along a DNA template, with no consideration given to elastic effects. The model's novel concept is a ``look-ahead'' feature, in which nucleotides bind reversibly to the DNA prior to being incorporated covalently into the nascent RNA chain. Results are presented for specific DNA sequences that have been used in single-molecule experiments of the random walk of RNA polymerase along DNA. By replicating the data analysis algorithm from the experimental procedure, the model produces velocity histograms, enabling direct comparison with these published results.
Yujiro Richard Yamada; Charles S. Peskin
Measurement and Model for Hazardous Chemical and Mixed Waste
Mixed solvent aqueous waste of various chemical compositions constitutes a significant fraction of the total waste produced by industry in the United States. Not only does the chemical process industry create large quantities of aqueous waste, but the majority of the waste inventory at the Department of Energy (DOE) sites previously used for nuclear weapons production is mixed solvent aqueous waste. In addition, large quantities of waste are expected to be generated in the clean-up of those sites. In order to effectively treat, safely handle, and properly dispose of these wastes, accurate and comprehensive knowledge of basic thermophysical properties is essential. The goal of this work is to develop a phase equilibrium model for mixed solvent aqueous solutions containing salts. An equation of state was sought for these mixtures that (a) would require a minimum of adjustable parameters and (b) could be obtained from a available data or data that were easily measured. A model was developed to predict vapor composition and pressure given the liquid composition and temperature. It is based on the Peng-Robinson equation of state, adapted to include non-volatile and salt components. The model itself is capable of predicting the vapor-liquid equilibria of a wide variety of systems composed of water, organic solvents, salts, nonvolatile solutes, and acids or bases. The representative system of water + acetone + 2-propanol + NaNO3 was selected to test and verify the model. Vapor-liquid equilibrium and phase density measurements were performed for this system and its constituent binaries.
Michael E. Mullins; Tony N. Rogers; Stephanie L. Outcalt; Beverly Louie; Laurel A. Watts; Cynthia D. Holcomb
Friction Modeling and Compensation for an Industrial Robot
Friction Modeling and Compensation for an Industrial Robot Stephen M. Phillips and Kevin R. Ballou it is assumed to be unpredictable or insignificant. In experiments on the PUMA 560 robot arm, Armstrong' dem
AICD -- Advanced Industrial Concepts Division Biological and Chemical Technologies Research Program. 1993 Annual summary report
The annual summary report presents the fiscal year (FY) 1993 research activities and accomplishments for the United States Department of Energy (DOE) Biological and Chemical Technologies Research (BCTR) Program of the Advanced Industrial Concepts Division (AICD). This AICD program resides within the Office of Industrial Technologies (OIT) of the Office of Energy Efficiency and Renewable Energy (EE). The annual summary report for 1993 (ASR 93) contains the following: A program description (including BCTR program mission statement, historical background, relevance, goals and objectives), program structure and organization, selected technical and programmatic highlights for 1993, detailed descriptions of individual projects, a listing of program output, including a bibliography of published work, patents, and awards arising from work supported by BCTR.
Petersen, G.; Bair, K.; Ross, J. [eds.
SHIP - Solar heat for industrial processes. Internationalsolar power could be used to provide process heat for
Bernstein, Lenny
Model documentation report: Industrial sector demand module of the National Energy Modeling System
This report documents the objectives, analytical approach, and development of the National Energy Modeling System (NEMS) Industrial Demand Model. The report catalogues and describes model assumptions, computational methodology, parameter estimation techniques, and model source code. This document serves three purposes. First, it is a reference document providing a detailed description of the NEMS Industrial Model for model analysts, users, and the public. Second, this report meets the legal requirement of the Energy Information Administration (EIA) to provide adequate documentation in support of its models. Third, it facilitates continuity in model development by providing documentation from which energy analysts can undertake model enhancements, data updates, and parameter refinements as future projects. The NEMS Industrial Demand Model is a dynamic accounting model, bringing together the disparate industries and uses of energy in those industries, and putting them together in an understandable and cohesive framework. The Industrial Model generates mid-term (up to the year 2015) forecasts of industrial sector energy demand as a component of the NEMS integrated forecasting system. From the NEMS system, the Industrial Model receives fuel prices, employment data, and the value of industrial output. Based on the values of these variables, the Industrial Model passes back to the NEMS system estimates of consumption by fuel types.
Energy Flow Models for the Steel Industry
each step is calibrated against Commerce Dept. data. Third, a detailed energy flow model is presented for coke ovens and blast furnaces, two very energy-intensive steps in our seven step model of steelmaking. This process-step model is calibrated...
Hyman, B.; Andersen, J. P.
ISTUM PC: industrial sector technology use model for the IBM-PC
A project to improve and enhance the Industrial Sector Technology Use Model (ISTUM) was originated in the summer of 1983. The project had dix identifiable objectives: update the data base; improve run-time efficiency; revise the reference base case; conduct case studies; provide technical and promotional seminars; and organize a service bureau. This interim report describes which of these objectives have been met and which tasks remain to be completed. The most dramatic achievement has been in the area of run-time efficiency. From a model that required a large proportion of the total resources of a mainframe computer and a great deal of effort to operate, the current version of the model (ISTUM-PC) runs on an IBM Personal Computer. The reorganization required for the model to run on a PC has additional advantages: the modular programs are somewhat easier to understand and the data base is more accessible and easier to use. A simple description of the logic of the model is given in this report. To generate the necessary funds for completion of the model, a multiclient project is proposed. This project will extend the industry coverage to all the industrial sectors, including the construction of process flow models for chemicals and petroleum refining. The project will also calibrate this model to historical data and construct a base case and alternative scenarios. The model will be delivered to clients and training provided. 2 references, 4 figures, 3 tables.
Roop, J.M.; Kaplan, D.T.
Modelling Inter-Industry Material Flows
............................................................................................ 4 3.1.2. Life-cycle Analysis. The development of energy-materials-economic models arose out of the need for tools to aid the development, capable of representing complex systems and interactions in a comprehensive and concise way. However
Coupled Physical/Chemical and Biofiltration Technologies to Reduce Air Emissions from Forest Products Industries
The research is a laboratory and bench-scale investigation of a system to concentrate and destroy volatile organic compounds (VOCs), including hazardous air pollutants, formed from the drying of wood and the manufacture of wood board products (e.g., particle board and oriented strandboard). The approach that was investigated involved concentrating the dilute VOCs (<500 ppmv) with a physical/chemical adsorption unit, followed by the treatment of the concentrated voc stream (2,000 to 2,500 ppmv) with a biofiltration unit. The research program lasted three years, and involved three research organizations. Michigan Technological University was the primary recipient of the financial assistance, the USDA Forest Products Laboratory (FPL) and Mississippi State University (MSU) were subcontractors to MTU. The ultimate objective of this research was to develop a pilot-scale demonstration of the technology with sufficient data to provide for the design of an industrial system. No commercialization activities were included in this project.
Gary D. McGinnis
of its electricity requirements in the USA (US DOE, 2002)USA, where motor-driven systems account for 63% of industrial electricity
Singular Vector Analysis for Atmospheric Chemical Transport Models
are presented for a simulation of atmospheric pollution in East Asia in March 2001. The singular valuesSingular Vector Analysis for Atmospheric Chemical Transport Models Wenyuan Liao and Adrian Sandu for atmospheric chemical transport models. The distinguishing feature of these models is the presence of stiff
Sandu, Adrian
Hydrodynamic model of Fukushima-Daiichi NPP Industrial site flooding
While the Fukushima-Daiichi was designed and constructed the maximal tsunami height estimate was about 3 m based on analysis of statistical data including Chile earthquake in 1960. The NPP project industrial site height was 10 m. The further deterministic estimates TPCO-JSCE confirmed the impossibility of the industrial site flooding by a tsunami and therefore confirmed ecological safety of the NPP. However, as a result of beyond design earthquake of 11 March 2011 the tsunami height at the shore near the Fukushima-Daiichi NPP reached 15 m. This led to flooding and severe emergencies having catastrophic environmental consequences. This paper proposes hydrodynamic model of tsunami emerging and traveling based on conservative assumptions. The possibility of a tsunami wave reaching 15 m height at the Fukushima-Daiichi NPP shore was confirmed for deduced hydrodynamic resistance coefficient of 1.8. According to the model developed a possibility of flooding is determined not only by the industrial site height, magni...
Vaschenko, V N; Gerasimenko, T V; Vachev, B
Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments...
Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments For Optimization Of Enhanced Geothermal System Development And Production: Evaluation of Stimulation at the...
Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments...
Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments for Optimization of Enhanced Geothermal System Development and Production Coupled Thermal-Hydrological-Mechan...
of mechanistic crack growth and grain contact models for chemically induced subcritical crack growth and pressure solution, with porosity-permeability changes * Conduct...
Experiment-Based Model for the Chemical Interactions between...
between Geothermal Rocks, Supercritical Carbon Dioxide and Water Experiment-Based Model for the Chemical Interactions between Geothermal Rocks, Supercritical Carbon Dioxide...
A Tomato Detached Leaf Assay for Chemical Genomics of an HLB Model System
Leaf Assay for Chemical Genomics of an HLB Model Systemapproach known as chemical genomics with Tomato �Psyllida model of HLB. Chemical genomics involves three key stages
Patne, S.; Eulgem, T.; Roose, M. L.
Applications of Ontologies for Assembling Simulation Models of Industrial Systems
-automated semantic engine that assembles the simulation model. We represent a structure of a real industrial plant in a plant ontology and available simulation blocks in a simulation ontology. Signals of each simulation critical scenarios of nuclear power plants [9]. As some real experiments cannot be repeated under the same
Air bottoming cycle Black liquor gasification combined cycleCEPI, 2001), and that use continues to grow. Black liquorgasification: Black liquor is the residue from chemical
THE DIFFUSION OF VOLUNTARY INTERNATIONAL MANAGEMENT STANDARDS: RESPONSIBLE CARE, ISO 9000 and ISO 14001 IN THE CHEMICAL INDUSTRY
Uzbekistan Venezuela* Vietnam Yemen, Rep. Zambia # ISO14001 # ISO Chemical *Countries included in Models 4 to 62001. "International diffusion of ISO 14000 certification."
Delmas, Magali A; Montiel, Ivan
options for combined heat and power in Canada. Office ofpolicies to promote combined heat and power in US industry.with fuel inputs in combined heat and power plants being
EJ of primary energy, 40% of the global total of 227 EJ. Bytotal energy use by industry and on the fraction of electricity use consumed by motor driven systems was taken as representative of global
A dynamic model of industrial energy demand in Kenya
This paper analyses the effects of input price movements, technology changes, capacity utilization and dynamic mechanisms on energy demand structures in the Kenyan industry. This is done with the help of a variant of the second generation dynamic factor demand (econometric) model. This interrelated disequilibrium dynamic input demand econometric model is based on a long-term cost function representing production function possibilities and takes into account the asymmetry between variable inputs (electricity, other-fuels and Tabour) and quasi-fixed input (capital) by imposing restrictions on the adjustment process. Variations in capacity utilization and slow substitution process invoked by the relative input price movement justifies the nature of input demand disequilibrium. The model is estimated on two ISIS digit Kenyan industry time series data (1961 - 1988) using the Iterative Zellner generalized least square method. 31 refs., 8 tabs.
Haji, S.H.H. [Gothenburg Univ. (Sweden)
Model documentation report: Industrial sector demand module of the national energy modeling system
This report documents the objectives, analytical approach, and development of the National Energy Modeling System (NEMS) Industrial Demand Model. The report catalogues and describes model assumptions, computational methodology, parameter estimation techniques, and model source code. This document serves three purposes. First, it is a reference document providing a detailed description of the NEMS Industrial Model for model analysts, users, and the public. Second, this report meets the legal requirements of the Energy Information Administration (EIA) to provide adequate documentation in support of its model. Third, it facilitates continuity in model development by providing documentation from which energy analysts can undertake model enhancements, data updates, and parameter refinements as future projects.
Carbon emissions reduction potential in the US chemicals and pulp and paper industries by applying CHP technologies
The chemical and the pulp/paper industries combined provide 55% of CHP generation in the US industry. Yet, significant potential for new CHP capacities exists in both industries. From the present steam consumption data, the authors estimate about 50 GW of additional technical potential for CHP in both industries. The reduced carbon emissions will be equivalent to 44% of the present carbon emissions in these industries. They find that most of the carbon emissions reductions can be achieved at negative costs. Depending on the assumptions used in calculations, the economic potential of CHP in these industries can be significantly lower, and carbon emissions mitigation costs can be much higher. Using sensitivity analyses, they determine that the largest effect on the CHP estimate have the assumptions in the costs of CHP technology, in the assumed discount rates, in improvements in efficiency of CHP technologies, and in the CHP equipment depreciation periods. Changes in fuel and electricity prices and the growth in the industries' steam demand have less of an effect. They conclude that the lowest carbon mitigation costs are achieved with the CHP facility is operated by the utility and when industrial company that owns the CHP unit can sell extra electricity and steam to the open wholesale market. Based on the results of the analyses they discuss policy implications.
Khrushch, M.; Worrell, E.; Price, L.; Martin, N.; Einstein, D.
A model for Long-term Industrial Energy Forecasting (LIEF)
The purpose of this report is to establish the content and structural validity of the Long-term Industrial Energy Forecasting (LIEF) model, and to provide estimates for the model`s parameters. The model is intended to provide decision makers with a relatively simple, yet credible tool to forecast the impacts of policies which affect long-term energy demand in the manufacturing sector. Particular strengths of this model are its relative simplicity which facilitates both ease of use and understanding of results, and the inclusion of relevant causal relationships which provide useful policy handles. The modeling approach of LIEF is intermediate between top-down econometric modeling and bottom-up technology models. It relies on the following simple concept, that trends in aggregate energy demand are dependent upon the factors: (1) trends in total production; (2) sectoral or structural shift, that is, changes in the mix of industrial output from energy-intensive to energy non-intensive sectors; and (3) changes in real energy intensity due to technical change and energy-price effects as measured by the amount of energy used per unit of manufacturing output (KBtu per constant $ of output). The manufacturing sector is first disaggregated according to their historic output growth rates, energy intensities and recycling opportunities. Exogenous, macroeconomic forecasts of individual subsector growth rates and energy prices can then be combined with endogenous forecasts of real energy intensity trends to yield forecasts of overall energy demand. 75 refs.
Ross, M. [Lawrence Berkeley Lab., CA (United States)]|[Michigan Univ., Ann Arbor, MI (United States). Dept. of Physics]|[Argonne National Lab., IL (United States). Environmental Assessment and Information Sciences Div.; Hwang, R. [Lawrence Berkeley Lab., CA (United States)
Development and Field Trial of Dimpled-Tube Technology for Chemical Industry Process Heaters
Most approaches to increasing heat transfer rates in the convection sections of gas-fired process heaters involve the incorporation of fins, baffles, turbulizers, etc. to increase either the heat transfer surface area or turbulence or both. Although these approaches are effective in increasing the heat transfer rates, this increase is invariably accompanied by an associated increase in convection section pressure drop as well as, for heaters firing �dirty� fuel mixtures, increased fouling of the tubes � both of which are highly undesirable. GTI has identified an approach that will increase heat transfer rates without a significant increase in pressure drop or fouling rate. Compared to other types of heat transfer enhancement approaches, the proposed dimpled tube approach achieves very high heat transfer rates at the lowest pressure drops. Incorporating this approach into convection sections of chemical industry fired process heaters may increase energy efficiency by 3-5%. The energy efficiency increase will allow reducing firing rates to provide the required heating duty while reducing the emissions of CO2 and NOx.
Yaroslav Chudnovsky; Aleksandr Kozlov
The purpose of this report is to establish the content and structural validity of the Long-term Industrial Energy Forecasting (LIEF) model, and to provide estimates for the model's parameters. The model is intended to provide decision makers with a relatively simple, yet credible tool to forecast the impacts of policies which affect long-term energy demand in the manufacturing sector. Particular strengths of this model are its relative simplicity which facilitates both ease of use and understanding of results, and the inclusion of relevant causal relationships which provide useful policy handles. The modeling approach of LIEF is intermediate between top-down econometric modeling and bottom-up technology models. It relies on the following simple concept, that trends in aggregate energy demand are dependent upon the factors: (1) trends in total production; (2) sectoral or structural shift, that is, changes in the mix of industrial output from energy-intensive to energy non-intensive sectors; and (3) changes in real energy intensity due to technical change and energy-price effects as measured by the amount of energy used per unit of manufacturing output (KBtu per constant $ of output). The manufacturing sector is first disaggregated according to their historic output growth rates, energy intensities and recycling opportunities. Exogenous, macroeconomic forecasts of individual subsector growth rates and energy prices can then be combined with endogenous forecasts of real energy intensity trends to yield forecasts of overall energy demand. 75 refs.
Ross, M. (Lawrence Berkeley Lab., CA (United States) Michigan Univ., Ann Arbor, MI (United States). Dept. of Physics Argonne National Lab., IL (United States). Environmental Assessment and Information Sciences Div.); Hwang, R. (Lawrence Berkeley Lab., CA (United States))
Engineered Barrier System: Physical and Chemical Environment Model
The conceptual and predictive models documented in this Engineered Barrier System: Physical and Chemical Environment Model report describe the evolution of the physical and chemical conditions within the waste emplacement drifts of the repository. The modeling approaches and model output data will be used in the total system performance assessment (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. These models evaluate the range of potential water compositions within the emplacement drifts, resulting from the interaction of introduced materials and minerals in dust with water seeping into the drifts and with aqueous solutions forming by deliquescence of dust (as influenced by atmospheric conditions), and from thermal-hydrological-chemical (THC) processes in the drift. These models also consider the uncertainty and variability in water chemistry inside the drift and the compositions of introduced materials within the drift. This report develops and documents a set of process- and abstraction-level models that constitute the engineered barrier system: physical and chemical environment model. Where possible, these models use information directly from other process model reports as input, which promotes integration among process models used for total system performance assessment. Specific tasks and activities of modeling the physical and chemical environment are included in the technical work plan ''Technical Work Plan for: In-Drift Geochemistry Modeling'' (BSC 2004 [DIRS 166519]). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system analysis model reports.
D. M. Jolley; R. Jarek; P. Mariner
Waste processing and pollution in the chemical and petrochemical industries. January 1984-October 1991 (Citations from the NTIS Data Base). Rept. for Jan 84-Oct 91
The bibliography contains citations concerning techniques and equipment used for pollution control in the chemical and petrochemical industries. Topics include emissions investigations, recycling and materials recovery studies, and standards for specific industries. Sources, site hazard evaluations, and the toxicity of specific chemicals are also discussed. (Contains 151 citations with title list and subject index.)
Final Report - Chemical Industry Corrosion Management - A Comprehensive Information System (ASSET 2)
The research sponsored by this project has greatly expanded the ASSET corrosion prediction software system to produce a world-class technology to assess and predict engineering corrosion of metals and alloys corroding by exposure to hot gases. The effort included corrosion data compilation from numerous industrial sources and data generation at Shell Oak Ridge National Laboratory and several other companies for selected conditions. These data were organized into groupings representing various combinations of commercially available alloys and corrosion by various mechanisms after acceptance via a critical screening process to ensure the data were for alloys and conditions, which were adequately well defined, and of sufficient repeatability. ASSET is the largest and most capable, publicly-available technology in the field of corrosion assessment and prediction for alloys corroding by high temperature processes in chemical plants, hydrogen production, energy conversion processes, petroleum refining, power generation, fuels production and pulp/paper processes. The problems addressed by ASSET are: determination of the likely dominant corrosion mechanism based upon information available to the chemical engineers designing and/or operating various processes and prediction of engineering metal losses and lifetimes of commercial alloys used to build structural components. These assessments consider exposure conditions (metal temperatures, gas compositions and pressures), alloy compositions and exposure times. Results of the assessments are determination of the likely dominant corrosion mechanism and prediction of the loss of metal/alloy thickness as a function of time, temperature, gas composition and gas pressure. The uses of these corrosion mechanism assessments and metal loss predictions are that the degradation of processing equipment can be managed for the first time in a way which supports efforts to reduce energy consumption, ensure structural integrity of equipment with the goals to avoid premature failure, to quantitatively manage corrosion over the entire life of high temperature process equipment, to select alloys for equipment and to assist in equipment maintenance programs. ASSET software operates on typical Windows-based (Trademark of Microsoft Corporation) personal computers using operating systems such as Windows 2000, Windows NT and Vista. The software is user friendly and contains the background information needed to make productive use of the software in various help-screens in the ASSET software. A graduate from a university-level curriculum producing a B.S. in mechanical/chemical/materials science/engineering, chemistry or physics typically possesses the background required to make appropriate use of ASSET technology. A training/orientation workshop, which requires about 3 hours of class time was developed and has been provided multiple times to various user groups of ASSET technology. Approximately 100 persons have been trained in use of the technology. ASSET technology is available to about 65 companies representing industries in petroleum/gas production and processing, metals/alloys production, power generation, and equipment design.
Randy C. John, Arthur L. Young, Arthur D. Pelton, William T. Thompson adn Ian G. Wright
APPLIED STOCHASTIC MODELS IN BUSINESS AND INDUSTRY Appl. Stochastic Models Bus. Ind., 2006; 22:297311
APPLIED STOCHASTIC MODELS IN BUSINESS AND INDUSTRY Appl. Stochastic Models Bus. Ind., 2006; 22 Non-parametric modelling of time-varying customer service times at a bank call centre Haipeng Shen1 are interested in modelling the time-varying pattern of average customer service times at a bank call centre
Shen, Haipeng
FROM BUSINESS MODEL TO BUSINESS MODEL PORTFOLIO IN THE EUROPEAN BIOPHARMACEUTICAL INDUSTRY 1 GAEL and of the anticipations of consumers' needs, the business model approach complements corporate and business strategy approaches. Firms combine several business models simultaneously to deliver value to different markets
Kinetic Part-Feeding Models for Assembly Lines in Automotive Industries
Kinetic Part-Feeding Models for Assembly Lines in Automotive Industries Michael Herty, firstname.lastname@example.com. #12;KINETIC PARTFEEDING MODELS FOR ASSEMBLY LINES IN AUTOMOTIVE INDUSTRIES MICHAEL HERTY, LENA in automotive industries by models based on partial differential equations.The basic idea consists
Noelle, Sebastian
23 5.3 Energy Use and Energy Intensity of Chlorine44314 Energy Use and Energy Intensity of the U.S. ChemicalEnergy Use and Energy Intensity of the U.S. Chemical
Worrell, Ernst; Phylipsen, Dian; Einstein, Dan; Martin, Nathan
Establishing and Implementing a Waste Minimization Program in the Chemical and Oil Industries
chemicals and chemical processes, and are the best equipped to manage and reduce waste. It is the responsibility of all companies that manufacture a product or generate a waste to understand the meaning of proper waste management hierarchy, waste...
Hollod, G. J.; Marton, R. J.
Comparison of Implementations of a Flexible Joint Multibody Dynamics System Model for an Industrial Robot
In this paper, different implementations of elastic joint models of industrial robots are described and com Industrial robots are widely used in various fields of applica- tion. However, when it comes to tasks where than industrial robots. Industrial robots, on the other hand, have a high work space and are very
Stryk, Oskar von
Chemical Kinetic Models for HCCI and Diesel Combustion
Predictive engine simulation models are needed to make rapid progress towards DOE's goals of increasing combustion engine efficiency and reducing pollutant emissions. These engine simulation models require chemical kinetic submodels to allow the prediction of the effect of fuel composition on engine performance and emissions. Chemical kinetic models for conventional and next-generation transportation fuels need to be developed so that engine simulation tools can predict fuel effects. The objectives are to: (1) Develop detailed chemical kinetic models for fuel components used in surrogate fuels for diesel and HCCI engines; (2) Develop surrogate fuel models to represent real fuels and model low temperature combustion strategies in HCCI and diesel engines that lead to low emissions and high efficiency; and (3) Characterize the role of fuel composition on low temperature combustion modes of advanced combustion engines.
Pitz, W J; Westbrook, C K; Mehl, M; Sarathy, S M
Chemical evolution of galaxies. I. A composition-dependent SPH model for chemical evolution and cooling
We describe an SPH model for chemical enrichment and radiative cooling in cosmological simulations of structure formation. This model includes: i) the delayed gas restitution from stars by means of a probabilistic approach designed to reduce the statistical noise and, hence, to allow for the study of the inner chemical structure of objects with moderately high numbers of particles; ii) the full dependence of metal production on the detailed chemical composition of stellar particles by using, for the first time in SPH codes, the Qij matrix formalism that relates each nucleosynthetic product to its sources; and iii) the full dependence of radiative cooling on the detailed chemical composition of gas particles, achieved through a fast algorithm using a new metallicity parameter zeta(T) that gives the weight of each element on the total cooling function. The resolution effects and the results obtained from this SPH chemical model have been tested by comparing its predictions in different problems with known theoretical solutions. We also present some preliminary results on the chemical properties of elliptical galaxies found in self-consistent cosmological simulations. Such simulations show that the above zeta-cooling method is important to prevent an overestimation of the metallicity-dependent cooling rate, whereas the Qij formalism is important to prevent a significant underestimation of the [alpha/Fe] ratio in simulated galaxy-like objects.
Francisco J. Mart�nez-Serrano; Arturo Serna; Rosa Dom�nguez-Tenreiro; Mercedes Moll�
Hydrocarbon fuels for advanced combustion engines consist of complex mixtures of hundreds or even thousands of different components. These components can be grouped into a number of chemically distinct classes, consisting of n-paraffins, branched paraffins, cyclic paraffins, olefins, oxygenates, and aromatics. Biodiesel contains its own unique chemical class called methyl esters. The fractional amounts of these chemical classes are quite different in gasoline, diesel fuel, oil-sand derived fuels and bio-derived fuels, which contributes to the very different combustion characteristics of each of these types of combustion systems. The objectives of this project are: (1) Develop detailed chemical kinetic models for fuel components used in surrogate fuels for diesel and HCCI engines; (2) Develop surrogate fuel models to represent real fuels and model low temperature combustion strategies in HCCI and diesel engines that lead to low emissions and high efficiency; and (3) Characterize the role of fuel composition on low temperature combustion modes of advanced combustion engines.
Pitz, W J; Westbook, C K; Mehl, M
Office of Energy Efficiency and Renewable Energy (EERE)
Information about the history of US Energy Service Company including industry history, setbacks, and lessons learned.
Measurements and models for hazardous chemical and mixed wastes. 1998 annual progress report
'Aqueous waste of various chemical compositions constitutes a significant fraction of the total waste produced by industry in the US. A large quantity of the waste generated by the US chemical process industry is waste water. In addition, the majority of the waste inventory at DoE sites previously used for nuclear weapons production is aqueous waste. Large quantities of additional aqueous waste are expected to be generated during the clean-up of those sites. In order to effectively treat, safely handle, and properly dispose of these wastes, accurate and comprehensive knowledge of basic thermophysical property information is paramount. This knowledge will lead to huge savings by aiding in the design and optimization of treatment and disposal processes. The main objectives of this project are: Develop and validate models that accurately predict the phase equilibria and thermodynamic properties of hazardous aqueous systems necessary for the safe handling and successful design of separation and treatment processes for hazardous chemical and mixed wastes. Accurately measure the phase equilibria and thermodynamic properties of a representative system (water + acetone + isopropyl alcohol + sodium nitrate) over the applicable ranges of temperature, pressure, and composition to provide the pure component, binary, ternary, and quaternary experimental data required for model development. As of May, 1998, nine months into the first year of a three year project, the authors have made significant progress in the database development, have begun testing the models, and have been performance testing the apparatus on the pure components.'
Holcomb, C.; Watts, L.; Outcalt, S.L.; Louie, B. [National Inst. of Standards and Technology, Boulder, CO (US); Mullins, M.E.; Rogers, T.N. [Michigan Technological Univ., Houghton, MI (US)
Designing a Mobile Collaborative System for Navigating and Reviewing Oil Industry CAD Models
Designing a Mobile Collaborative System for Navigating and Reviewing Oil Industry CAD Models navigating and reviewing 3D engineering models, applied to the oil industry. Together with professional oil industry engineers from a large oil company, a team of HCI researchers per- formed task analysis
Barbosa, Alberto
Hybrid modeling of industrial energy consumption and greenhouse gas emissions with an application to Canada
implemented in Canada, what would be the response of the industrial sector in terms of energy consumptionHybrid modeling of industrial energy consumption and greenhouse gas emissions with an application for modeling industrial energy consumption, among them a series of environmental and security externalities
High speed cutting with industrial robots: Towards model based compensation of deviations
, [abele|bauer|weigold]@ptw.tu-darmstadt.de Abstract Application of industrial robots for high speedHigh speed cutting with industrial robots: Towards model based compensation of deviations Modeling and numerical simulation of the industrial robot with elastic joints Dr.-Ing. M. Stelzer and Prof. Dr. rer. nat
Atomistic Models for the absorption of Oil Production Chemicals on
Atomistic Models for the absorption of Oil Production Chemicals on Clay minerals Sungu Hwang, Mario The atomistic simulation of the minerals in oil production Prediction of the performance of the oil production: a model for oil -19 -18 -17 -16 -15 -14 0 0.2 0.4 0.6 0.8 1 Coverage Bindingenergyper adsorbate
Goddard III, William A.
Benefits of Industrial Boiler Control and Economic Load Allocation at AMOCO Chemicals, Decatur, Alabama
The objective of this paper is to provide an overview of the economic benefits realized by Amoco's Decatur plant from the utilization of Honeywell's Industrial Boiler Control solution and Turbo Economic Load Allocation packages on an integrated four...
Winter, J.
Chemical characterization of ozone formation in the Houston-Galveston area: A chemical transport model study
: Constituent sources and sinks; 0345 Atmospheric Composition and Structure: Pollution--urban and regional (0305 of the atmosphere and hence the lifetime of reactive atmospheric pollutants and many re- duced chemical species. O3 model study Wenfang Lei1 and Renyi Zhang Department of Atmospheric Sciences, Texas A&M University
Progress in Chemical Kinetic Modeling for Surrogate Fuels
Gasoline, diesel, and other alternative transportation fuels contain hundreds to thousands of compounds. It is currently not possible to represent all these compounds in detailed chemical kinetic models. Instead, these fuels are represented by surrogate fuel models which contain a limited number of representative compounds. We have been extending the list of compounds for detailed chemical models that are available for use in fuel surrogate models. Detailed models for components with larger and more complicated fuel molecular structures are now available. These advancements are allowing a more accurate representation of practical and alternative fuels. We have developed detailed chemical kinetic models for fuels with higher molecular weight fuel molecules such as n-hexadecane (C16). Also, we can consider more complicated fuel molecular structures like cyclic alkanes and aromatics that are found in practical fuels. For alternative fuels, the capability to model large biodiesel fuels that have ester structures is becoming available. These newly addressed cyclic and ester structures in fuels profoundly affect the reaction rate of the fuel predicted by the model. Finally, these surrogate fuel models contain large numbers of species and reactions and must be reduced for use in multi-dimensional models for spark-ignition, HCCI and diesel engines.
Pitz, W J; Westbrook, C K; Herbinet, O; Silke, E J
Business models for information commons in the pharmaceutical industry
The pharmaceutical industry needs new modes of innovation. The industry's innovation system - based on massive investments in R&D protected by intellectual property rights - has worked well for many years, providing ...
Bharadwaj, Ragu
The application of a chemical equilibrium model, SOLTEQ, to predict the chemical speciations in stabilized/solidified waste forms
THE APPLICATION OI' A CHEMICAL EQUILIBRIUM MODEL, SOLTEQ, TO PREDICT THK CHEMICAL SPKCIATIONS IN STABILIZED/SOLIDIFIED WASTE FORMS A Thesis by JOO-YANG PARK Submitted to the Office of Graduate Studies of Texas A&M University in partial... fulfillment of the requirements for the degree of MASTER OF SCIENCE December 1994 Major Subject: Civil Engineering THE APPLICATION OF A CHEMICAL EQUILIBRIUM MODEL, SOLTEQ, TO PREDICT THE CHEMICAL SPECIATIONS IN STABILIZED/SOLIDIFIED WASTE FORMS A Thesis...
Park, Joo-Yang
A Field Tested Model of Industrial Energy Conservation Assistance to Small Industries
The University of Tennessee is one of three universities selected by the Industrial Energy Conservation Program of the Department of Energy to develop and demonstrate the concept of an Energy Analysis and Diagnostics Center (EADC). The objective...
Jendrucko, R. J.; Mitchell, D. S.; Snyder, W. T.; Symonds, F. W.
1 DYNAMIC MODEL OF AN INDUSTRIAL HEAT PUMP USING WATER AS REFRIGERANT CHAMOUN MARWAN to improve industrial energy efficiency, the development of a high temperature heat pump using water vapor as refrigerant is investigated. Technical problems restraining the feasibility of this industrial heat pump
Biomedical | Chemical & Biomolecular | Civil & Environmental | Electrical & Computer | Industrial | Mechanical | Petroleum Careers in Electrical Engineering
of Houston is well-positioned in the energy capital, near the world's largest medical center, NASA, the Port industrial demands for electrical engineering include devices focused on power generation, wireless communications and energy storage. Students pursuing the Bachelor of Science in Electrical Engineering must
Standard Project Committee defines a Building Information Model as "a digital representation of physicalEVALUATION OF INDUSTRY FOUNDATION CLASSES FOR PRACTICAL BUILDING INFORMATION MODELING FOR PRACTICAL BUILDING INFORMATION MODELING INTEROPERABILITY ABSTRACT The AEC (Architecture, Engineering
Kamat, Vineet R.
Chemical Process Modeling in Modelica Ali Baharev Arnold Neumaier
Chemical Process Modeling in Modelica Ali Baharev Arnold Neumaier Fakult�t f�r Mathematik an important role in the development of our novel optimization methods. Foundations of a Modelica library-product distillation were computed as a proof of concept. The Modelica source code is available at the project homepage
Neumaier, Arnold
Mercury's thermo-chemical evolution from numerical models constrained
Mercury's thermo-chemical evolution from numerical models constrained by MESSENGER observations Globe de Paris, France #12;Basics facts about Mercury · Semi-major axis: 0.39 AU · 3:2 spin Earth!) · Black body temperature: 440 K #12;Exploration of Mercury Mariner10 ·First spacecraft to use
Cerveny, Vlastislav
Chemical Kinetic Modeling of Combustion of Automotive Fuels
The objectives of this report are to: (1) Develop detailed chemical kinetic reaction models for components of fuels, including olefins and cycloalkanes used in diesel, spark-ignition and HCCI engines; (2) Develop surrogate mixtures of hydrocarbon components to represent real fuels and lead to efficient reduced combustion models; and (3) Characterize the role of fuel composition on production of emissions from practical automotive engines.
Pitz, W J; Westbrook, C K; Silke, E J
New process modeling [sic], design, and control strategies for energy efficiency, high product quality, and improved productivity in the process industries. Final project report
This project was concerned with the development of process design and control strategies for improving energy efficiency, product quality, and productivity in the process industries. In particular, (i) the resilient design and control of chemical reactors, and (ii) the operation of complex processing systems, was investigated. Specific topics studied included new process modeling procedures, nonlinear controller designs, and control strategies for multiunit integrated processes. Both fundamental and immediately applicable results were obtained. The new design and operation results from this project were incorporated into computer-aided design software and disseminated to industry. The principles and design procedures have found their way into industrial practice.
Ray, W. Harmon
Potential for Energy Efficient Motors and Variable Speed Drives in the Petroleum and Chemical Industry
This paper presents an in-depth survey of motors in a refinery and a chemical plant. The potential for energy and demand savings is then determined and hence the dollar savings using a sliding rate structure currently applicable to the petrochemical...
Fendley, K. A.; Pillay, P.
2007 Society of Chemical Industry and John Wiley & Sons, Ltd Pretreatment: the key to
presents important opportunities to achieve very low costs, pretreatment of naturally resistant cellulosic materials is essential if we are to achieve high yields from biological operations; this operation biological, chemical, physical, and thermal approaches have been investigated over the years, but only those
California at Riverside, University of
Distributed Energy: Modeling Penetration in Industrial Sector Over the Long-Term
Distributed Energy: Modeling Penetration in Industrial Sector over the Long-Term Lorna Greening, Private Consultant, Los Alamos, NM Distributed energy (DE) sources provide a number of benefits when utilized. For industrial facilities... and the generation of steam. Within the framework of a US energy system model (MARKAL using the assumptions underlying AEO 2005), where all sources of energy supply and demand are depicted, the potential penetration of DE options is evaluated. The industrial...
Greening, L.
Improving Cooling System Immunity Supply Voltage Sags in Petroleum and Chemical Industries
links in automated processes. During a common voltage sag, the coils in these devices may de-energize long enough to cause the contacts to open and connected equipment to shut down. Recognizing this Achilles' heel of the process industry, some... not interfere with emergency-stop operations because it supports only the coil of a contactor or relay and allows the coil to de-energize when the voltage is removed. It is small and can be easily installed next to a relay, contactor, or motor starter...
Dorr, D. S.
Probabilistic consequence model of accidenal or intentional chemical releases.
In this work, general methodologies for evaluating the impacts of large-scale toxic chemical releases are proposed. The potential numbers of injuries and fatalities, the numbers of hospital beds, and the geographical areas rendered unusable during and some time after the occurrence and passage of a toxic plume are estimated on a probabilistic basis. To arrive at these estimates, historical accidental release data, maximum stored volumes, and meteorological data were used as inputs into the SLAB accidental chemical release model. Toxic gas footprints from the model were overlaid onto detailed population and hospital distribution data for a given region to estimate potential impacts. Output results are in the form of a generic statistical distribution of injuries and fatalities associated with specific toxic chemicals and regions of the United States. In addition, indoor hazards were estimated, so the model can provide contingency plans for either shelter-in-place or evacuation when an accident occurs. The stochastic distributions of injuries and fatalities are being used in a U.S. Department of Homeland Security-sponsored decision support system as source terms for a Monte Carlo simulation that evaluates potential measures for mitigating terrorist threats. This information can also be used to support the formulation of evacuation plans and to estimate damage and cleanup costs.
Chang, Y.-S.; Samsa, M. E.; Folga, S. M.; Hartmann, H. M.
Self-consistent chemical model of partially ionized plasmas
A simple renormalization theory of plasma particle interactions is proposed. It primarily stems from generic properties of equilibrium distribution functions and allows one to obtain the so-called generalized Poisson-Boltzmann equation for an effective interaction potential of two chosen particles in the presence of a third one. The same equation is then strictly derived from the Bogolyubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy for equilibrium distribution functions in the pair correlation approximation. This enables one to construct a self-consistent chemical model of partially ionized plasmas, correctly accounting for the close interrelation of charged and neutral components thereof. Minimization of the system free energy provides ionization equilibrium and, thus, permits one to study the plasma composition in a wide range of its parameters. Unlike standard chemical models, the proposed one allows one to study the system correlation functions and thereby to obtain an equation of state which agrees well with exact results of quantum-mechanical activity expansions. It is shown that the plasma and neutral components are strongly interrelated, which results in the short-range order formation in the corresponding subsystem. The mathematical form of the results obtained enables one to both firmly establish this fact and to determine a characteristic length of the structure formation. Since the cornerstone of the proposed self-consistent chemical model of partially ionized plasmas is an effective pairwise interaction potential, it immediately provides quite an efficient calculation scheme not only for thermodynamical functions but for transport coefficients as well.
Arkhipov, Yu. V.; Baimbetov, F. B.; Davletov, A. E. [Department of Physics, Kazakh National University, Tole Bi 96, Almaty 050012 (Kazakhstan)
Sponsors of CIEEDAC: Environment Canada Natural Resources Canada, Canadian Industry Program for Energy Conservation, Aluminium Industry Association, Canadian Chemical Producers' Association, Canadian Electricity
. This includes the oil and gas extraction industries and the coal mining industry. To analyze changes in GHG; technology innovations; transparency of data availability; location of production facilities; international political dynamics; nuclear development initiatives; frontier exploration initiatives; Canada's Clean Air
The Northwest Infrared (NWIR) gas-phase spectral database of industrial and environmental chemicals: Recent updates
With continuing improvements in both standoff- and point-sensing techniques, there is an ongoing need for high-quality infrared spectral databases. The Northwest Infrared Database (NWIR) contains quantitative, gas-phase infrared spectra of nearly 500 pure chemical species that can be used for a variety of applications such as atmospheric monitoring, biomass burning studies, etc. The data, recorded at 0.1 cm-1 resolution, are pressure broadened to one atmosphere (N2) in order to mimic atmospheric conditions. Each spectrum is a composite composed of multiple individual measurements. Recent updates to the database include over 60 molecules that are known or suspected biomass-burning effluents. Examples from this set of measurements will be presented and experimental details will be discussed in the context of the utility of NWIR for environmental applications.
Brauer, Carolyn S.; Johnson, Timothy J.; Blake, Thomas A.; Sharpe, Steven W.; Sams, Robert L.; Tonkyn, Russell G.
Modeling thermal/chemical/mechanical response of energetic materials
An overview of modeling at Sandia National Laboratories is presented which describes coupled thermal, chemical and mechanical response of energetic materials. This modeling addresses cookoff scenarios for safety assessment studies in systems containing energetic materials. Foundation work is discussed which establishes a method for incorporating chemistry and mechanics into multidimensional analysis. Finite element analysis offers the capabilities to simultaneously resolve reactive heat transfer and structural mechanics in complex geometries. Nonlinear conduction heat transfer, with multiple step finite-rate chemistry, is resolved using a thermal finite element code. Rate equations are solved element-by-element using a modified matrix-free stiff solver This finite element software was developed for the simulation of systems requiring large numbers of finite elements. An iterative implicit scheme, based on the conjugate gradient method, is used and a hemi-cube algorithm is employed for the determination of view factors in surface-to-surface radiation transfer The critical link between the reactive heat transfer and mechanics is the introduction of an appropriate constitutive material model providing a stress-strain relationship for quasi-static mechanics analysis. This model is formally derived from bubble nucleation theory, and parameter variations of critical model parameters indicate that a small degree of decomposition leads to significant mechanical response. Coupled thermal/chemical/mechanical analysis is presented which simulates experiments designed to probe cookoff thermal-mechanical response of energetic materials.
Baer, M.R.; Hobbs, M.L.; Gross, R.J. [and others
Quark number density at imaginary chemical potential and its extrapolation to large real chemical potential by the effective model
We evaluate quark number densities at imaginary chemical potential by lattice QCD with clover-improved two-flavor Wilson fermion. The quark number densities are extrapolated to the small real chemical potential region by assuming some function forms. The extrapolated quark number densities are consistent with those calculated at real chemical potential with the Taylor expansion method for the reweighting factors. In order to study the large real chemical potential region, we use the two-phase model consisting of the quantum hadrodynamics model for the hadron phase and the entanglement-PNJL model for the quark phase. The quantum hadrodynamics model is constructed to reproduce nuclear saturation properties, while the entanglement-PNJL model reproduces well lattice QCD data for the order parameters such as the Polyakov loop, the thermodynamic quantities and the screening masses. Then, we calculate the mass-radius relation of neutron stars and explore the hadron-quark phase transition with the two-phase model.
Junichi Takahashi; Junpei Sugano; Masahiro Ishii; Hiroaki Kouno; Masanobu Yahiro
Development of the use, and approval testing of duplex stainless steel in the chemical industry
The application of duplex stainless steels within ICI began in the early 1970`s. At that time Langley 40V the precursor of Ferralium was being introduced into phosphoric acid production as a pump material, which gave a superior corrosion/erosion resistance compared to 316L in such hostile environments. At the same time the UNS S31500 duplex alloy was being introduced as a tube material not so much for its corrosion resistance, but to give enhanced performance over carbon steel with better resistance to chloride SCC compared with austenitic 300 series type stainless steels. Since then duplex alloys have gained increasing use as the product forms have increased and the alloys have developed. In addition to their resistance to chlorides their good corrosion resistance in difficult chemical environments has been exploited. This has necessitated ensuring that welded structures have a corrosion resistance matching the parent plate. This paper gives examples of some of the applications and the development of a test procedure based on ASTM G-48 to approve the integrity of the welds in a corrosive environment.
Smith, R.F. [ICI, Cleveland (United Kingdom); Pennington, A. [ICI Teesside Operations, Cleveland (United Kingdom)
ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying Process Inefficiencies in the U.S. Chemical Industry, Industrial Technologies Program, DRAFT Summary Report, December 2006
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:YearRound-UpHeatMulti-Dimensionalthe U.S. Department ofIOWA1999) | Department ofWorld |Industrial
Sloshing in the LNG shipping industry: risk modelling through multivariate heavy-tail analysis
Sloshing in the LNG shipping industry: risk modelling through multivariate heavy-tail analysis In the liquefied natural gas (LNG) shipping industry, the phenomenon of slosh- ing can lead to the occurrence. The parsimonious representation thus obtained proves to be very convenient for the simulation of mul- tivariate
Prediction of the tool displacement for robot milling applications using coupled models of an industrial
. INTRODUCTION The major fields of machining applications for industrial robots are automated pre- machining an industrial robot for milling applications inaccuracies of the serial robot kinematic, the low structuralPrediction of the tool displacement for robot milling applications using coupled models
Aerosols and clouds in chemical transport models and climate models.
Clouds exert major influences on both shortwave and longwave radiation as well as on the hydrological cycle. Accurate representation of clouds in climate models is a major unsolved problem because of high sensitivity of radiation and hydrology to cloud properties and processes, incomplete understanding of these processes, and the wide range of length scales over which these processes occur. Small changes in the amount, altitude, physical thickness, and/or microphysical properties of clouds due to human influences can exert changes in Earth's radiation budget that are comparable to the radiative forcing by anthropogenic greenhouse gases, thus either partly offsetting or enhancing the warming due to these gases. Because clouds form on aerosol particles, changes in the amount and/or composition of aerosols affect clouds in a variety of ways. The forcing of the radiation balance due to aerosol-cloud interactions (indirect aerosol effect) has large uncertainties because a variety of important processes are not well understood precluding their accurate representation in models.
Lohmann,U.; Schwartz, S. E.
Chemical Kinetic Modeling of Fuels | Department of Energy
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:YearRound-Up fromDepartmentTieCelebrate Earth DayFuels Chemical Kinetic Modeling of Fuels 2010 DOE
How to prevent a Normal Accident in a High Reliable Organisation? The art of resilience, a case study in the chemical industry.
How to prevent a Normal Accident in a High Reliable Organisation? The art of resilience, a email@example.com Abstract: The trend in France in the chemical industry following the Toulouse accident in 2001 has created the safety and accident field) some dimensions, for example the level of resilience (or reliability
1) Determine what chemical interactions occur between relevant minerals and water-CO 2 fluids 2) Understand how the chemical interactions affect transition to and performance of a...
Integrated Tribo-Chemical Modeling of Copper CMP
Tribochemical Mechanisms of Copper Chemical MechanicalEli, D. Starosvetsky, "Review on copper chemical�mechanicalY. Li, "Investigation of Copper Removal Mechanisms d uring
Shantanu Tripathi; Choi, Seungchoun; Doyle, Fiona M; Dornfeld, David
Modeling ruminant methane emissions from the U.S. beef cattle industry
Computer models were constructed to estimate methane emissions from cow/calf, replacement heifers, burs, stockers and feedlot sectors of the U.S. beef cattle industry. Methane (CH4) yields were calculated based on net energy values and forage...
Turk, Danny Carroll
A quantitative model to predict the cost of quality nonconformance in the construction industry
A QUANTITATIVE MODEL TO PREDICT THE COST OF QUALITY NONCONFORMANCE IN THE CONSTRUCTION INDUSTRY A Thesis by ETHELBERT OKECHUKWU OPARA Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of requirements... for the degree of MASTER OF SCIENCE August 1993 Major Subject: Construction Management A QUANTITATIVE MODEL TO PREDICT THE COST OF QUALITY NONCONFORMANCE IN THE CONSTRUCTION INDUSTRY A Thesis by ETHELBERT OKECHUKWU OPARA Submitted to Texas A&M University...
Opara, Ethelbert Okechukwu
Supporting technology for enhanced oil recovery: Chemical flood predictive model
The Chemical Flood Predictive Model (CFPM) was developed by Scientific Software-Intercomp for the US Department of Energy and was used in the National Petroleum Council's (NPC) 1984 survey of US enhanced oil recovery potential (NPC, 1984). The CFPM models micellar (surfactant)-polymer (MP) floods in reservoirs which have been previously waterflooded to residual oil saturation. Thus, only true tertiary floods are considered. An option is available in the model which allows a rough estimate of oil recovery by caustic (alkaline) or caustic-polymer processes. This ''caustic'' option, added for the NPC survey, is not modeled as a separate process. Rather, the caustic and caustic-polymer oil recoveries are computed simply as 15% and 40%, respectively, of the MP oil recovery. In the CFPM, an oil rate versus time function for a single pattern is computed and the results are passed to the economic routines. To estimate multi-pattern project behavior, a pattern development schedule must be specified. After-tax cash flow is computed by combining revenues with capital costs for drilling, conversion and upgrading of wells, chemical handling costs, fixed and variable operating costs, injectant costs, depreciation, royalties, severance, state, federal, and windfall profit taxes, cost and price inflation rates, and the discount rate. A lumped parameter uncertainty routine is used to estimate risk, and allows for variation in computed project performance within an 80% confidence interval. The CFPM uses theory and the results of numerical simulation to predict MP oil recovery in five-spot patterns. Oil-bank and surfactant breakthrough and project life are determined from fractional flow theory. A Koval-type factor, based on the Dykstra-Parsons (1950) coefficient, is used to account for the effects of reservoir heterogeneity on surfactant and oil bank velocities. 18 refs., 17 figs., 27 tabs.
Ray, R.M.; Munoz, J.D.
Comments on the use of computer models for merger analysis in the electricity industry
that the commission is considering, electricity market models, production cost/optimal power flow models, and hybridsComments on the use of computer models for merger analysis in the electricity industry FERC Docket for market power in electricity markets. These analyses have yielded several insights about the application
California at Berkeley. University of
Carbon Emissions: Chemicals Industry
U.S. Energy Information Administration (EIA) Indexed Site
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2007 10,998 9,933 10,998 10,643 10,998 10,643 10,998 10,998 10,64397 272 522 542Peru (Million
Industrial Sector Energy Efficiency Modeling (ISEEM) Framework Documentation
Model Part I, Energy Technology Systems Analysis Programme,A Report of the Energy Technology Systems Analysis Project,Energy Efficiency Technologies in Integrated Assessment
Karali, Nihan
New Model Demonstrates Offshore Wind Industry's Job Growth Potential...
has developed a tool to estimate jobs and other economic impacts associated with offshore wind development in the United States. The modeling tool, which illustrates the potential...
ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A...
Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying Process Inefficiencies in the U.S. Chemical Industry, Industrial Technologies Program, DRAFT Summary...
Frequency Modulation Spectroscopy Modeling for Remote Chemical Detection
Frequency modulation (FM) spectroscopy techniques show promise for active infrared remote chemical sensing. FM spectroscopy techniques have reduced sensitivity to optical and electronic noise, and are relatively immune to the effects of various electronic and mechanical drifts. FM systems are responsive to sharp spectral features and can therefore reduce the effects of spectral clutter due to interfering chemicals in the plume or in the atmosphere. The relatively high modulation frequencies used for FM also reduces the effects of albedo (reflectance) and plume variations. Conventional differential absorption lidar (DIAL) systems are performance limited by the noise induced by speckle. Analysis presented in this report shows that FM based sensors may reduce the effects of speckle by one to two orders of magnitude. This can result in reduced dwell times and faster area searches, as well as reducing various forms of spatial clutter. FM systems will require a laser system that is continuously tunable at relatively high frequencies (0.1 to 20 MHz). One promising candidate is the quantum-cascade (QC) laser [1, 2]. The QC laser is potentially capable of power levels on the order of 1 Watt and frequency tuning on the order of 3 - 6 GHz, which is the performance level required for FM spectroscopy based remote sensing. In this report we describe a high-level numerical model for an FM spectroscopy based remote sensing system, and application to two unmanned airborne vehicle (UAV) scenarios. A Predator scenario operating at a slant range of 6.5 km with a 10 cm diameter telescope, and a Global Hawk scenario operating at a range of 30 km with a 20 cm diameter telescope, has been assumed to allow estimation of the performance of potential FM systems.
Sheen, David M.
Filtration within the Actinide Removal Process (ARP) currently limits the throughput in interim salt processing at the Savannah River Site. In this process, batches of salt solution with Monosodium Titanate (MST) sorbent are concentrated by crossflow filtration. The filtrate is subsequently processed to remove cesium in the Modular Caustic Side Solvent Extraction Unit (MCU) followed by disposal in saltstone grout. The concentrated MST slurry is washed and sent to the Defense Waste Processing Facility (DWPF) for vitrification. During recent ARP processing, there has been a degradation of filter performance manifested as the inability to maintain high filtrate flux throughout a multi-batch cycle. The objectives of this effort were to characterize the feed streams, to determine if solids (in addition to MST) are precipitating and causing the degraded performance of the filters, and to assess the particle size and rheological data to address potential filtration impacts. Equilibrium modelling with OLI Analyzer{sup TM} and OLI ESP{sup TM} was performed to determine chemical components at risk of precipitation and to simulate the ARP process. The performance of ARP filtration was evaluated to review potential causes of the observed filter behavior. Task activities for this study included extensive physical and chemical analysis of samples from the Late Wash Pump Tank (LWPT) and the Late Wash Hold Tank (LWHT) within ARP as well as samples of the tank farm feed from Tank 49H. The samples from the LWPT and LWHT were obtained from several stages of processing of Salt Batch 6D, Cycle 6, Batch 16.
Martino, C.; Herman, D.; Pike, J.; Peters, T.
header for SPIE use Laboratory Data and Model Comparisons of the Transport of Chemical
National Laboratories, Albuquerque, NM b New Mexico Institute of Mining and Technology, Socorro, NM processes are fairly well understood from many years of agricultural and industrial pollution soil physics of explosive chemicals. The humidity of the air flowing through the plenum was set at about 50% RH to generate
Cal, Mark P.
Final Technical Report - High-Performance, Oxide-Dispersion-Strengthened Tubes for Production of Ethylene adn Other Industrial Chemicals
This project was undertaken by Michigan Technological University and Special Metals Corporation to develop creep-resistant, coking-resistant oxide-dispersion-strengthened (ODS) tubes for use in industrial-scale ethylene pyrolysis and steam methane reforming operations. Ethylene pyrolysis tubes are exposed to some of the most severe service conditions for metallic materials found anywhere in the chemical process industries, including elevated temperatures, oxidizing atmospheres and high carbon potentials. During service, hard deposits of carbon (coke) build up on the inner wall of the tube, reducing heat transfer and restricting the flow of the hydrocarbon feedstocks. About every 20 to 60 days, the reactor must be taken off-line and decoked by burning out the accumulated carbon. This decoking costs on the order of $9 million per year per ethylene plant, accelerates tube degradation, and requires that tubes be replaced about every 5 years. The technology developed under this program seeks to reduce the energy and economic cost of coking by creating novel bimetallic tubes offering a combination of improved coking resistance, creep resistance and fabricability not available in current single-alloy tubes. The inner core of this tube consists of Incoloy(R) MA956, a commercial ferritic Fe-Cr-Al alloy offering a 50% reduction in coke buildup combined with improved carburization resistance. The outer sheath consists of a new material - oxide dispersion strengthened (ODS) Alloy 803(R) developed under the program. This new alloy retains the good fireside environmental resistance of Alloy 803, a commercial wrought alloy currently used for ethylene production, and provides an austenitic casing to alleviate the inherently-limited fabricability of the ferritic Incoloy(R) MA956 core. To provide mechanical compatibility between the two alloys and maximize creep resistance of the bimetallic tube, both the inner Incoloy(R) MA956 and the outer ODS Alloy 803 are oxide dispersion strengthened materials produced using mechanical alloying technology. To minimize cost, the bimetallic tube is produced by direct powder co-extrusion. This technology has potential for domestic energy savings of up to 4.1 trillion BTU/year (4.3 x 1015J/year) and a reduction of 370,000 tons (340,000 tonnes) of CO2 emissions in short-residence-time ethylene furnaces. This represents an energy savings and CO2 emissions reduction of about 3.3%. If the technology is also applied to other types of ethylene pyrolysis furnaces, total energy savings and CO2 emissions reductions could increase by up to five times. The work involved: Developing powder and consolidation processing protocols to produce an oxide-dispersion strengthened variant of Alloy 803 exhibiting creep strength comparable to Incoloy? Alloy MA956, Developing a direct powder co-extrusion protocol for fabricating co-extruded bimetallic Incoloy? Alloy MA956 / ODS Alloy 803 tubes, Characterizing the properties of the ODS Alloy 803 material, the welding characteristics of the bimetallic tubes, and the coking characteristics of the Incoloy? MA956 alloy, and Documenting the potential energy savings and user requirements for these bimetallic pyrolysis furnace tubes. The project demonstrated that oxide dispersion strengthened Alloy 803 can be produced successfully using conventional mechanical alloying technology. The oxide dispersion strengthened bimetallic radiant coil technology explored under this program has significant potential for energy savings and productivity improvements for domestic ethylene producers. In today's competitive market, however, domestic furnace manufacturers and ethylene producers appear reluctant to pay any cost premium for higher-performance coil materials offering either higher temperature capabilities or longer service life. Interest in oxide dispersion strengthened radiant coils is likely to increase if furnace and ethylene producers begin to focus more on increasing tube wall temperatures to improve productivity.
McKimpson, Marvin G.
Mechanics, mechanisms, and modeling of the chemical mechanical polishing process
The ever-increasing demand for high-performance microelectronic devices has motivated the semiconductor industry to design and manufacture Ultra-Large-Scale Integrated (ULSI) circuits with smaller feature size, higher ...
Lai, Jiun-Yu
Modeling the determinants of industry political power: industry winners in the Economic Recovery Tax Act of 1981
to take advantage of the new tax law; the new tax law did not significantly benefit all industries. Thus to claim that all corporations and all industries benefit uniformly from state actions would be misleading. The eight industries that benefited... claimed that these provisions would stimulate economic growth. Ironically in 1981, the same year in which the Economic Recovery Tax Act was passed, the Council of State Planning Agencies reported that the corporate tax incentives (primarily given...
Kardell, Amy Louise
Numerical comparison between relaxation and nonlinear equilibrium models. Application to chemical engineering.
processes widely used in chemical engineering: distillation and chromatography. Distillation is a wellNumerical comparison between relaxation and nonlinear equilibrium models. Application to chemical engineering. F. James 1 M. Postel 2 M. Sep'ulveda 3 Abstract A model to take into account the finite exchange
d'Orléans, Université
Reducing the Anaerobic Digestion Model N1 for its application to an industrial wastewater treatment plant
the Anaerobic Digestion Model N°1 for its application to an industrial wastewater treatment plant treating winery effluent wastewater Carlos García-Diéguez 1 , Olivier Bernard 2 , Enrique Roca 1, * 1 USC PRODES for winery effluent wastewater. A new reduced stoichiometric matrix was identified and the kinetic parameters
Industry Alliance Industry Alliance
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Industry Alliance Industry Alliance Clean, Sustainable Energy for the 21st Century Industry Alliance Industry Alliance Clean, Sustainable Energy for the 21st Century October, 2010...
Characterization and modeling of polysilicon MEMS chemical-mechanical polishing
Heavily used in the manufacture of integrated circuits, chemical-mechanical polishing (CMP) is becoming an enabling technology for microelectromechanical systems (MEMS). To reliably use CMP in the manufacturing process, ...
Tang, Brian D. (Brian David), 1980-
Log-domain circuit models of chemical reactions
We exploit the detailed similarities between electronics and chemistry to develop efficient, scalable bipolar or subthreshold log-domain circuits that are dynamically equivalent to networks of chemical reactions. Our ...
Mandal, Soumyajit
Chapter 18: Understanding the Developing Cellulosic Biofuels Industry through Dynamic Modeling
The purpose of this chapter is to discuss a system dynamics model called the Biomass Scenario Model (BSM), which is being developed by the U.S. Department of Energy as a tool to better understand the interaction of complex policies and their potential effects on the burgeoning cellulosic biofuels industry in the United States. The model has also recently been expanded to include advanced conversion technologies and biofuels (i.e., conversion pathways that yield biomass-based gasoline, diesel, jet fuel, and butanol), but we focus on cellulosic ethanol conversion pathways here. The BSM uses a system dynamics modeling approach (Bush et al., 2008) built on the STELLA software platform.
Newes, E.; Inman, D.; Bush, B.
Fundamental Chemical Kinetic And Thermodynamic Data For Purex Process Models
To support either the continued operations of current reprocessing plants or the development of future fuel processing using hydrometallurgical processes, such as Advanced Purex or UREX type flowsheets, the accurate simulation of Purex solvent extraction is required. In recent years we have developed advanced process modeling capabilities that utilize modern software platforms such as Aspen Custom Modeler and can be run in steady state and dynamic simulations. However, such advanced models of the Purex process require a wide range of fundamental data including all relevant basic chemical kinetic and thermodynamic data for the major species present in the process. This paper will summarize some of these recent process chemistry studies that underpin our simulation, design and testing of Purex solvent extraction flowsheets. Whilst much kinetic data for actinide redox reactions in nitric acid exists in the literature, the data on reactions in the diluted TBP solvent phase is much rarer. This inhibits the accurate modelization of the Purex process particularly when species show a significant extractability in to the solvent phase or when cycling between solvent and aqueous phases occurs, for example in the reductive stripping of Pu(IV) by ferrous sulfamate in the Magnox reprocessing plant. To support current oxide reprocessing, we have investigated a range of solvent phase reactions: - U(IV)+HNO{sub 3}; - U(IV)+HNO{sub 2}; - U(IV)+HNO{sub 3} (Pu catalysis); - U(IV)+HNO{sub 3} (Tc catalysis); - U(IV)+ Np(VI); - U(IV)+Np(V); - Np(IV)+HNO{sub 3}; - Np(V)+Np(V); Rate equations have been determined for all these reactions and kinetic rate constants and activation energies are now available. Specific features of these reactions in the TBP phase include the roles of water and hydrolyzed intermediates in the reaction mechanisms. In reactions involving Np(V), cation-cation complex formation, which is much more favourable in TBP than in HNO{sub 3}, also occurs and complicates the redox chemistry. Whilst some features of the redox chemistry in TBP appear similar to the corresponding reactions in aqueous HNO{sub 3}, there are notable differences in rates, the forms of the rate equations and mechanisms. Secondly, to underpin the development of advanced single cycle flowsheets using the complexant aceto-hydroxamic acid, we have also characterised in some detail its redox chemistry and solvent extraction behaviour with both Np and Pu ions. We find that simple hydroxamic acids are remarkably rapid reducing agents for Np(VI). They also reduce Pu(VI) and cause a much slower reduction of Pu(IV) through a complex mechanism involving acid hydrolysis of the ligand. AHA is a strong hydrophilic and selective complexant for the tetravalent actinide ions as evidenced by stability constant and solvent extraction data for An(IV), M(III) and U(VI) ions. This has allowed the successful design of U/Pu+Np separation flowsheets suitable for advanced fuel cycles. (authors)
Taylor, R.J.; Fox, O.D.; Sarsfield, M.J.; Carrott, M.J.; Mason, C.; Woodhead, D.A.; Maher, C.J. [British Technology Centre, Nexia Solutions, Sellafield, Seascale, CA20 1PG (United Kingdom); Steele, H. [Nexia Solutions, inton House, Risley, Warrington, WA3 6AS (United Kingdom); Koltunov, V.S. [A.A. Bochvar All-Russia Institute of Inorganic Materials, VNIINM, PO Box 369, Moscow 123060 (Russian Federation)
COGENERATION IN CANADA by Nicholas J. Rivers B.Eng., Memorial University of Newfoundland, 2000 RESEARCH PROJECT: Behavioural realism in a technology explicit energy-economy model: The adoption of industrial cogeneration the results. The model showed that industrial cogeneration is a relatively unknown technology to many firms
Chemical reaction model for oil and gas generation from type 1 and type 2 kerogen
A global model for the generation of oil and gas from petroleum source rocks is presented. The model consists of 13 chemical species and 10 reactions, including an alternate-pathway mechanism for kerogen pyrolysis. Reaction rate parameters and stoichiometry coefficients determined from a variety of pyrolysis data are given for both type I and type II kerogen. Use of the chemical reaction model is illustrated for typical geologic conditions.
Braun, R.L.; Burnham, A.K.
Testing of a model to estimate vapor concentration of various organic chemicals. Master's thesis
A model developed by Dr. Parker C. Reist to predict the build-up and decay rates of vapor concentrations following a chemical spill and clean-up was tested. The chemicals tested were: acetone, butyl acetate, ethyl acetate, hexane, methylene chloride, methyl ethyl ketone, and toluene. The evaporation rates of these chemicals were determined both by prediction, using a model developed by I. Kawamura and D. Mackay, and empirically and these rates were used in the Reist model. Chamber experiments were done to measure actual building-up and decay of vapor concentrations for simulated spills and simulated clean-up.
Bakalyar, S.M.
FLUID DYNAMICAL AND MODELING ISSUES OF CHEMICAL FLOODING FOR ENHANCED OIL RECOVERY Prabir Daripa developed flows in enhanced oil recovery (EOR). In a recent exhaustive study [Transport in Porous Media, 93 fluid flows that occur in porous media during tertiary dis- placement process of chemical enhanced oil
Daripa, Prabir
Model of penetration of coal boilers and cogeneration in the paper industry
A model has been developed to forecast the penetration of coal boilers and cogeneration of electricity in the paper industry. Given the demand for energy services (process steam and electricity) by the paper industry, the Penetration Model forecasts the demand for purchased fuel and electricity. The model splits the demand for energy service between energy carriers (coal, fuel oil/natural gas, bark, and spent liquor) on the basis of the installed capacity of 16 types of boilers (combinations of four types of energy carriers and four types of throttle conditions). Investment in new boilers is allocated by an empirical distribution function among the 16 types of boilers on the basis of life cycle cost. In the short run (5 years), the Penetration Model has a small price response. The model has a large price response in the long run (30 years). For constant fuel prices, the model forecasts a 19-percent share for coal and a 65-percent share for residual oil in the year 2000. If the real price of oil and gas doubles by the year 2000, the model forecasts a 68-percent share for coal and a 26-percent share for residual oil.
Reister, D.B.
Evaluating indoor exposure modeling alternatives for LCA: A case study in the vehicle repair industry
We evaluated three exposure models with data obtained from measurements among workers who use"aerosol" solvent products in the vehicle repair industry and with field experiments using these products to simulate the same exposure conditions. The three exposure models were the: 1) homogeneously-mixed-one-box model, 2) multi-zone model, and 3) eddy-diffusion model. Temporally differentiated real-time breathing zone volatile organic compound (VOC) concentration measurements, integrated far-field area samples, and simulated experiments were used in estimating parameters, such as emission rates, diffusivity, and near-field dimensions. We assessed differences in model input requirements and their efficacy for predictive modeling. The One-box model was not able to resemble the temporal profile of exposure concentrations, but it performed well concerning time-weighted exposure over extended time periods. However, this model required an adjustment for spatial concentration gradients. Multi-zone models and diffusion-models may solve this problem. However, we found that the reliable use of both these models requires extensive field data to appropriately define pivotal parameters such as diffusivity or near-field dimensions. We conclude that it is difficult to apply these models for predicting VOC exposures in the workplace. However, for comparative exposure scenarios in life-cycle assessment they may be useful.
Demou, Evangelia; Hellweg, Stefanie; Wilson, Michael P.; Hammond, S. Katharine; McKone, Thomas E.
A comparative study of vibrational relaxation and chemical reaction models for the Martian entry vehicle
A COMPARATIVE STUDY OF VIBRATIONAL RELAXATION AND CHEMICAL REACTION MODELS FOR THE MARTIAN ENTRY VEHICLE A Thesis by RAJEEV KOTESHWAR Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment... of the requirements for the degree of MASTER OF SCIENCE May 1992 Major Subject: Aerospace Engineering A COMPARATIVE STUDY OF VIBRATIONAL RELAXATION AND CHEMICAL REACTION MODELS FOR THE MARTIAN ENTRY VEHICLE A Thesis by RAJEEV KOTESHWAR Approved as to style...
Koteshwar, Rajeev
Ecotoxicological simulation modeling: effects of agricultural chemical exposure on wintering burrowing owls
, (2) chemical applications to crops, (3) chemical transfer and fate in the crop soil and prey items, and (4) chemical exposure in the burrowing owl. This model was used to evaluate (1) which components of the model most affect the endpoints, (2... Cotton/Sorghum/Onions crop scenario HD5 Hazardous Dose resulting in mortality of 5% of the population LD50 Lethal Dose resulting in mortality of 50% of the population LEL Lowest Effects Level vii LOEL Lowest Observed Effects Level NASS USDA...
Engelman, Catherine Allegra
Long-term Industrial Energy Forecasting (LIEF) model (18-sector version)
The new 18-sector Long-term Industrial Energy Forecasting (LIEF) model is designed for convenient study of future industrial energy consumption, taking into account the composition of production, energy prices, and certain kinds of policy initiatives. Electricity and aggregate fossil fuels are modeled. Changes in energy intensity in each sector are driven by autonomous technological improvement (price-independent trend), the opportunity for energy-price-sensitive improvements, energy price expectations, and investment behavior. Although this decision-making framework involves more variables than the simplest econometric models, it enables direct comparison of an econometric approach with conservation supply curves from detailed engineering analysis. It also permits explicit consideration of a variety of policy approaches other than price manipulation. The model is tested in terms of historical data for nine manufacturing sectors, and parameters are determined for forecasting purposes. Relatively uniform and satisfactory parameters are obtained from this analysis. In this report, LIEF is also applied to create base-case and demand-side management scenarios to briefly illustrate modeling procedures and outputs.
Ross, M.H. (Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Physics); Thimmapuram, P.; Fisher, R.E.; Maciorowski, W. (Argonne National Lab., IL (United States))
Prediction of the Tool Displacement by Coupled Models of the Compliant Industrial Robot and the Milling Process
Prediction of the Tool Displacement by Coupled Models of the Compliant Industrial firstname.lastname@example.com Abstract Using an industrial robot for machining parts provides a cost-saving and flexible alternative Interaction, Milling Process, Robot Structure 1 INTRODUCTION The major field of cutting applications
The American Chemical Industry --A Perspective from an Academic Richard N. Zare, Department of Chemistry, Stanford University, Stanford,
Carbide Air Products 1998 R&D Spending as % of Sales: Dow is 4.4 %; Rohm and Haas is 5.6 %; Union Carbide is 2.5 %; Air Products is 2.3 %. #12;Vu-graph 6. R&D SPENDING Pharmaceuticals; $ Millions 0 500 1000 manufacturer of chemical products by a substantial margin with a balance of trade surplus in excess of $15
Zare, Richard N.
Modeling Exposure to Persistent Chemicals in Hazard and Risk Assessment
chlorinated pesticides, e.g. , DDT) based on Swedish marketInvestigating the global fate of DDT: Model evaluation anddichlorodiphenyltrichloroethane (DDT), and its degradation
Cowan-Ellsberry, Christina E.
Impact of the revised OSHA exposure standard on evaluation and control of benzene and other volatile organic chemicals in the liquid petroleum pipeline industry
The primary purpose of this study was to determine the benzene exposure potential of workers in the liquid petroleum pipeline industry and to assess the impact of compliance with the revised standard on this industry. In addition, exposure to ethylene dibromide (EDB), and ethylene dichloride (EDC), which have toxicological profiles similar to that of benzene and are routinely found in this industry, were evaluated and appropriate control protocols were recommended. Exposure potential to benzene in excess of the 0.5 ppm (8-hour TWA) OSHA action level was shown to be limited to three free product handling operations, and that this increased exposure potential was dependent on the length of time necessary to perform the operations. The incidence and magnitude of benzene overexposure was not severe and control could be accomplished with engineering methods, along with work practice controls and personal protective equipment. Through application of a risk assessment model it was shown that 14 excess leukemia deaths per one thousand workers could be expected in the employee population that routinely performs those operation having maximum benzene exposure potential. This compares to less than on excess leukemia death per one thousand workers in the total work population. The evaluation of EDB and EDC indicated that exposure potential to EDB was of greatest concern. Even though exposure could be limited through application of standard industrial hygiene methods, any control protocol short of total elimination of EDB from the product stream may be not sufficient to reduce exposure to accepted levels.
Mercer, D.O.
A New, Stochastic, Energy Model of the U.S. is Under Construction: SEDS and Its Industrial Structure
-duty vehicles and heavy-duty vehicles. The industrial sector is currently modeled as a single sector, using the latest Manufacturing Energy Consumption Survey (MECS) to calibrate energy consumption to end-use energy categories: boilers, process heating...
Roop, J. M.
Development of Chemical Model to Predict the Interactions between...
- TOUGH family codes have been widely used in modeling EGS and CCS processes. The fracture-matrix feature can be handled through the MINC module; however, at considerable cost....
Modeling the chemical, diffusional, and thermal processes of a microreactor
This thesis seeks to create a high fidelity model of the multiphysics present in a typical microreactor using propane combustion as a fuel source. The system is fully described by energy, momentum, and mass equations, all ...
Silva, James Emanuel
Chemical Kinetic Modeling of Non-Petroleum Based Fuels
Modeling of Non-Petroleum Based Fuels William J. Pitz (PI), Charles K. Westbrook, S. M. Sarathy, Marco Mehl, Angel Polo Lawrence Livermore National Laboratory May 15, 2012 DOE...
Robust model-based fault diagnosis for chemical process systems
diagnosis systems, which use limited information about the process model to robustly detect, discriminate, and reconstruct instrumentation faults. Broadly, the proposed method consists of a novel nonlinear state and parameter estimator coupled with a fault...
Rajaraman, Srinivasan
Prediction of Physico-Chemical Properties for REACH Based on QSPR Models
Prediction of Physico-Chemical Properties for REACH Based on QSPR Models Guillaume Fayeta models have been developed for the prediction of flash points of two families of organic compounds respected all OECD validation principles with excellent performances in predictivity, the one dedicated
Paris-Sud XI, Universit� de
Chemical kinetic modeling of component mixtures relevant to gasoline
Detailed kinetic models of pyrolysis and combustion of hydrocarbon fuels are nowadays widely used in the design of internal combustion engines and these models are effectively applied to help meet the increasingly stringent environmental and energetic standards. In previous studies by the combustion community, such models not only contributed to the understanding of pure component combustion, but also provided a deeper insight into the combustion behavior of complex mixtures. One of the major challenges in this field is now the definition and the development of appropriate surrogate models able to mimic the actual features of real fuels. Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. Their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. Aside the most commonly used surrogates containing iso-octane and n-heptane only, the so called Primary Reference Fuels (PRF), new mixtures have recently been suggested to extend the reference components in surrogate mixtures to also include alkenes and aromatics. It is generally agreed that, including representative species for all the main classes of hydrocarbons which can be found in real fuels, it is possible to reproduce very effectively in a wide range of operating conditions not just the auto-ignition propensity of gasoline or Diesel fuels, but also their physical properties and their combustion residuals [1]. In this work, the combustion behavior of several components relevant to gasoline surrogate formulation is computationally examined. The attention is focused on the autoignition of iso-octane, hexene and their mixtures. Some important issues relevant to the experimental and modeling investigation of such fuels are discussed with the help of rapid compression machine data and calculations. Following the model validation, the behavior of mixtures is discussed on the basis of computational results.
Mehl, M; Curran, H J; Pitz, W J; Dooley, S; Westbrook, C K
A methodology for simultaneous modeling and control of chemical processes
Feedback Control System The Methodology IV APPLICATION TO A TEXTBOOK PROBLEM IMC Controller Structure RLS Algorithm Design Method. Linear Model Description . Simulation with Different Initial System Output Values . . . . Simulation with Different... and Initial System Output Values. Simulation with Different Disturbance Gains. . . . VI CASE STUDY: APPLICATION OF THIS FEEDBACK SYSTEM TO A TENNESSEE EASTMAN TESTBED PROBLEM, . . . Problem Description. Reactor Control and Process Identification. VII...
Zeng, Tong
PROCESS MODELING AND CONTROL The Department of Chemical Engineering
) · S. Ziaii CO2 absorption process modeling and control/power plant energy integration (Joint research in our department #12;· Ensure safe plant operation · Meet product specifications · Optimize/Control · B. Gill Virtual sensors in etch processes (Texas Instruments) · X. Jiang Controller performance
Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. It is generally agreed that their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. In this work, a recently revised version of the kinetic model by the authors is used to analyze the combustion behavior of several components relevant to gasoline surrogate formulation. Particular attention is devoted to linear and branched saturated hydrocarbons (PRF mixtures), olefins (1-hexene) and aromatics (toluene). Model predictions for pure components, binary mixtures and multi-component gasoline surrogates are compared with recent experimental information collected in rapid compression machine, shock tube and jet stirred reactors covering a wide range of conditions pertinent to internal combustion engines. Simulation results are discussed focusing attention on the mixing effects of the fuel components.
Mehl, M; Curran, H J; Pitz, W J; Westbrook, C K
Statistical modeling of spontaneous combustion in industrial-scale coal stockpiles
Companies consuming large amounts of coal should work with coal stocks in order to not face problems due to production delays. The industrial-scale stockpiles formed for the aforementioned reasons cause environmental problems and economic losses for the companies. This study was performed in a coal stock area of a large company in Konya, which uses large amounts of coal in its manufacturing units. The coal stockpile with 5 m width, 10 m length, 3 m height, and having 120 tons of weight was formed in the coal stock area of the company. The inner temperature data of the stockpile was recorded by 17 temperature sensors placed inside the stockpile at certain points. Additionally, the data relating to the air temperature, air humidity, atmospheric pressure, wind velocity, and wind direction that are the parameters affecting the coal stockpile were also recorded. A statistical model applicable for a spontaneous combustion event was developed during this study after applying multi-regression analyses to the data recorded in the stockpile during the spontaneous combustion event. The correlation coefficients obtained by the developed statistical model were measured approximately at a 0.95 level. Thus, the prediction of temperature variations influential in the spontaneous combustion event of the industrial-scale coal stockpiles will be possible.
Ozdeniz, H [Selcuk University, Konya (Turkey). Dept. of Mining Engineering
Increasing the chemical content of turbulent flame models through the use of parallel computing
This report outlines the effort to model a time-dependent, 2- dimensional, turbulent, nonpremixed flame with full chemistry with the aid of parallel computing tools. In this study, the mixing process and the chemical reactions occurring in the flow field are described in terms of the single-point probability density function (PDF), while the turbulent viscosity is determined by the standard kappa-epsilon model. The initial problem solved is a H[sub 2]/Air flame whose chemistry is described by 28 elementary reactions involving 9 chemical species.
Yam, C.G.; Armstrong, R.; Koszykowski, M.L. [Sandia National Labs., Livermore, CA (United States); Chen, J.Y. [California Univ., Berkeley, CA (United States); Bui-Pham, M.N. [Lawrence Berkeley National Lab., CA (United States)
A chemical kinetic model of hydrocarbon generation from the Bakken Formation, Williston Basin, North Dakota
This report describes a model of hydrocarbon generation and expulsion in the North Dakota portion of the Williston Basin. The modeling incorporates kinetic methods to simulate chemical reactions and 1-dimensional conductive heat flow models to simulate thermal histories of the Mississippian-Devonian Bakken Formation source rock. We developed thermal histories of the source rock for 53 wells in the basin using stratigraphic and heat flow data obtained by the University of North Dakota. Chemical kinetics for hydrocarbon generation, determined from Pyromat pyrolysis, were, then used with the diennal histories to calculate the present day value of the Rock-Eval T{sub max} for each well. The calculated Rock-Eval T{sub max} values agreed with measured values within amounts attributable to uncertainties in the chemical kinetics and the heat flow. These optimized thermal histories were then used with a more detailed chemical kinetic model of hydrocarbon generation and expulsion, modified from a model developed for the Cretaceous La Luna shale, to simulate pore pressure development and detailed aspects of the hydrocarbon chemistry. When compared to values estimated from sonic logs, the pore pressure calculation underestimates the role of hydrocarbon generation and overestimates the role of compaction disequilibrium, but it matches well the general areal extent of pore pressures of 0.7 times lithostatic and higher. The simulated chemistry agrees very well with measured values of HI, PI, H/C atomic ratio of the kerogen, and Rock-Eval S1. The model is not as successful in simulating the amount of extracted bitumen and its saturate content, suggesting that detailed hydrous pyrolysis experiments will probably be needed to further refine the chemical model.
Sweeney, J.J.; Braun, R.L.; Burnham, A.K. [Lawrence Livermore National Lab., CA (United States); Gosnold, W.D. [North Dakota Univ., Grand Forks, ND (United States)
HVAC Component Data Modeling Using Industry Foundation Classes Vladimir Bazjanac, Lawrence Berkeley National Laboratory, U.S.A.
1 HVAC Component Data Modeling Using Industry Foundation Classes Vladimir Bazjanac, Lawrence. This paper describes a number of aspects of a major extension of the HVAC part of the IFC data model. First is the introduction of a more generic approach for handling HVAC components. This includes type information, which
Systems Modeling and Analysis Industrial Engineers are interested in optimizing the design and operation of complex systems
Systems Modeling and Analysis Industrial Engineers are interested in optimizing the design and operation of complex systems composed of people and machines using information, materials and energy to produce goods and services. Analyzing such systems with information-driven models is an essential step
Dyer, Bill
On the Use of Computational Models for Wave Climate Assessment in Support of the Wave Energy Industry
Effective, economic extraction of ocean wave energy requires an intimate under- standing of the ocean waveOn the Use of Computational Models for Wave Climate Assessment in Support of the Wave Energy On the Use of Computational Models for Wave Climate Assessment in Support of the Wave Energy Industry
Victoria, University of
Multiscale Modeling of TiO2 Nanoparticle Production in Flame Reactors: Effect of Chemical Mechanism
Multiscale Modeling of TiO2 Nanoparticle Production in Flame Reactors: Effect of Chemical Mechanism and Engineering Mechanics, The UniVersity of Texas, Austin, Texas 78712 For titanium dioxide (TiO2) nanoparticles, catalysis, energy, and semiconductors. Titanium dioxide (TiO2) nanoparticles are traditionally used
Raman, Venkat
A kinetic model of diamond nucleation and silicon carbide interlayer formation during chemical vapor deposition
A kinetic model of diamond nucleation and silicon carbide interlayer formation during chemical February 2005 Available online 7 April 2005 Abstract The presence of thin silicon carbide intermediate of carbon atoms into the silicon carbide layer and the morphology and orientation of the diamond film
Dandy, David
Chemical reactor models of optimal digestion efficiency with constant foraging costs
Chemical reactor models of optimal digestion efficiency with constant foraging costs J. David Logan-batch reactor or plug flow reactor. Specifically, we determine the residence time that optimizes the average net , Anthony Joern , & William Wolesensky January 24, 2003 Abstract We develop quantitative optimization
Detailed numerical modeling of chemical and thermal nonequilibrium in hypersonic flows
Interest in hypersonic flows has created a large demand for physicochemical models for air flow computations around reentry bodies. Detailed physicochemical models for air in chemical and thermal nonequilibrium are needed for a realistic prediction of hypersonic flowfields. In this paper we develop a model, based on elementary physicochemical processes, for a detailed description of chemical nonequilibrium together with the excitation of internal DOFs. This model is implemented in a 2D Navier-Stokes code in order to show the strong influence of thermal nonequilibrium on the flowfields. The algorithm presented here is based on a fully conservative discretization of the inviscid fluxes in the conservation equations and uses the chain rule conservation law form for the viscous fluxes. The large system of ordinary differential and algebraic equations resulting from the spatial discretization is solved by a time-accurate semiimplicit extrapolation method. 34 refs.
Riedel, U.; Maas, U.; Warnatz, J. (Stuttgart Univ. (Germany))
Adapting to contradiction : competing models of organization in the United States organic foods industry
foods that many industry members felt were not compatible with organic agriculture, including ingredients made from genetically modified plants, irradiation
Haedicke, Michael Anthony
HCCI experiments with gasoline surrogate fuels modeled by a semidetailed chemical kinetic model
Experiments in a homogeneous charge compression ignition (HCCI) engine have been conducted with four gasoline surrogate fuel blends. The pure components in the surrogate fuels consisted of n-heptane, isooctane, toluene, ethanol and diisobutylene and fuel sensitivities (RON-MON) in the fuel blends ranged from two to nine. The operating conditions for the engine were p{sub in}=0.1 and 0.2 MPa, T{sub in}=80 and 250 C, {phi}=0.25 in air and engine speed 1200 rpm. A semidetailed chemical kinetic model (142 species and 672 reactions) for gasoline surrogate fuels, validated against ignition data from experiments conducted in shock tubes for gasoline surrogate fuel blends at 1.0{<=} p{<=}5.0MPa, 700{<=} T{<=}1200 K and {phi}=1.0, was successfully used to qualitatively predict the HCCI experiments using a single zone modeling approach. The fuel blends that had higher fuel sensitivity were more resistant to autoignition for low intake temperature and high intake pressure and less resistant to autoignition for high intake temperature and low intake pressure. A sensitivity analysis shows that at high intake temperature the chemistry of the fuels ethanol, toluene and diisobutylene helps to advance ignition. This is consistent with the trend that fuels with the least Negative Temperature Coefficient (NTC) behavior show the highest octane sensitivity, and become less resistant to autoignition at high intake temperatures. For high intake pressure the sensitivity analysis shows that fuels in the fuel blend with no NTC behavior consume OH radicals and acts as a radical scavenger for the fuels with NTC behavior. This is consistent with the observed trend of an increase in RON and fuel sensitivity. With data from shock tube experiments in the literature and HCCI modeling in this work, a correlation between the reciprocal pressure exponent on the ignition delay to the fuel sensitivity and volume percentage of single-stage ignition fuel in the fuel blend was found. Higher fuel sensitivity and single-stage fuel content generally gives a lower value of the pressure exponent. This helps to explain the results obtained while boosting the intake pressure in the HCCI engine. (author)
Andrae, J.C.G. [Dept. of Chemical Engineering and Technology, Royal Institute of Technology (KTH), SE-100 44 Stockholm (Sweden); Head, R.A. [Shell Technology Centre Thornton, P.O. Box 1, Chester CH1 3SH (United Kingdom)
Correlated random-chemical-potential model for the phase transitions of helium mixtures in porous media
A lattice model is constructed for [sup 3]He-[sup 4]He mixtures in porous media, characterized by correlated random chemical-potential differences between isotopes. Sites with high chemical-potential differences form a random connected porous structure, similar to silica strands in aerogel. We find by Monte Carlo simulation that the bulk tricritical phase diagram is replaced: The [lambda] line extends to zero temperature, as had been theoretically predicted some time ago, and phase separation occurs within the superfluid phase. These findings and the behavior of the order parameter agree with recent experiments.
Falicov, A.; Nihat Berker, A. (Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States))
A Process Reference Model for Reuse in Industrial Engineering: Enhancing the ISO/IEC 15504 Framework to Cope with Organizational Reuse Maturity
A Process Reference Model for Reuse in Industrial Engineering: Enhancing the ISO/IEC 15504 in industrial engineering for solution providers is more and more recognized as a key to economic success for reuse in industrial engineering. Based on an overview and the background of the GDES-Reuse improvement
Mössenböck, Hanspeter
Development of Chemical Model to Predict the Interactions between Supercritical CO2and Fluid, and Rocks in EGS Reservoirs
Broader source: Energy.gov [DOE]
This project will develop a chemical model, based on existing models and databases, that is capable of simulating chemical reactions between supercritical (SC) CO2 and Enhanced Geothermal System (EGS) reservoir rocks of various compositions in aqueous, non-aqueous and 2-phase environments.
ITP Chemicals: Energy and Environmental Profile of the U.S. Chemical...
Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A Powerful Tool...
CKow -- A More Transparent and Reliable Model for Chemical Transfer to Meat and Milk
The objective of this study is to increase the understanding and transparency of chemical biotransfer modeling into meat and milk and explicitly confront the uncertainties in exposure assessments of chemicals that require such estimates. In cumulative exposure assessments that include food pathways, much of the overall uncertainty is attributable to the estimation of transfer into biota and through food webs. Currently, the most commonly used meat and milk-biotransfer models date back two decades and, in spite of their widespread use in multimedia exposure models few attempts have been made to advance or improve the outdated and highly uncertain Kow regressions used in these models. Furthermore, in the range of Kow where meat and milk become the dominant human exposure pathways, these models often provide unrealistic rates and do not reflect properly the transfer dynamics. To address these issues, we developed a dynamic three-compartment cow model (called CKow), distinguishing lactating and non-lactating cows. For chemicals without available overall removal rates in the cow, a correlation is derived from measured values reported in the literature to predict this parameter from Kow. Results on carry over rates (COR) and biotransfer factors (BTF) demonstrate that a steady-state ratio between animal intake and meat concentrations is almost never reached. For meat, empirical data collected on short term experiments need to be adjusted to provide estimates of average longer term behaviors. The performance of the new model in matching measurements is improved relative to existing models--thus reducing uncertainty. The CKow model is straight forward to apply at steady state for milk and dynamically for realistic exposure durations for meat COR.
Rosenbaum, Ralph K.; McKone, Thomas E.; Jolliet, Olivier
Lean supply chain in pharmaceutical industry : modeling and simulation of a SAP environment
The global pharmaceutical business environment has been rapidly changing and has more competitive. Competition in pharmaceutical industry extended far beyond the traditional battle field, research and development. Bayer ...
Hou, Billy
E-Print Network 3.0 - approach chemical models Sample Search...
Information Sciences 26 In its short history, chemical engineering has moved far beyond bulk chemical production. Through identification of funda- Summary: approaches. Chemical...
An Embedded Boundary Method for the Modeling of Unsteady Combustion in an Industrial GasFired Furnace \\Lambda
for the convective, viscous, and radiative heat transport terms in the mixed cells, while a finite element [20] which accounts for species diffusion, convective and radiative heat transfer, viscous transportAn Embedded Boundary Method for the Modeling of Unsteady Combustion in an Industrial Gas
Attempt to estimate measurement uncertainty in the Air Force Toxic Chemical Dispersion (AFTOX) model. Master's thesis
The Air Force Toxic Chemical Dispersion (AFTOX) model is a Gaussian puff dispersion model that predicts plumes, concentrations, and hazard distances of toxic chemical spills. A measurement uncertainty propagation formula derived by Freeman et al. (1986) is used within AFTOX to estimate resulting concentration uncertainties due to the effects of data input uncertainties in wind speed, spill height, emission rate, and the horizontal and vertical Gaussian dispersion parameters, and the results are compared to true uncertainties as estimated by standard deviations computed by Monte Carlo simulations. The measurement uncertainty uncertainty propagation formula was found to overestimate measurement uncertainty in AFTOX-calculated concentrations by at least 350 percent, with overestimates worsening with increasing stability and/or increasing measurement uncertainty.
Zettlemoyer, M.D.
We present a one-zone galactic chemical enrichment model that takes into account the contribution of stellar winds from massive stars under the effect of rotation, Type II supernovae, hypernovae, stellar winds from low- and intermediate-mass stars, and Type Ia supernovae. This enrichment model will be implemented in a galactic model designed to be used as a subgrid treatment for galaxy evolution and outflow generation in large-scale cosmological simulations, in order to study the evolution of the intergalactic medium. We test our enrichment prescription by comparing its predictions with the metallicity distribution function and the abundance patterns of 14 chemical elements observed in the Milky Way stars. To do so, we combine the effect of many stellar populations created from the star formation history of the Galaxy in the solar neighborhood. For each stellar population, we keep track of its specific mass, initial metallicity, and age. We follow the time evolution of every population in order to respect the time delay between the various stellar phases. Our model is able to reproduce the observed abundances of C, O, Na, Mg, Al, S, and Ca. For Si, Cr, Mn, Ni, Cu, and Zn, the fits are still reasonable, but improvements are needed. We marginally reproduce the nitrogen abundance in very low metallicity stars. Overall, our results are consistent with the predicted abundance ratios seen in previous studies of the enrichment history of the Milky Way. We have demonstrated that our semi-analytic one-zone model, which cannot deal with spatial information such as the metallicity gradient, can nevertheless successfully reproduce the global Galactic enrichment evolution obtained by more complex models, at a fraction of the computational cost. This model is therefore suitable for a subgrid treatment of chemical enrichment in large-scale cosmological simulations.
C�t�, Benoit; Martel, Hugo; Drissen, Laurent [D�partement de physique, de G�nie Physique et d'Optique, Universit� Laval, Qu�bec, QC G1V 0A6 (Canada)
Systems Modeling, Simulation and Material Operating Requirements for Chemical Hydride Based Hydrogen Storage
Research on ammonia borane (AB, NH3BH3) has shown it to be a promising material for chemical hydride based hydrogen storage. AB was selected by DOE's Hydrogen Storage Engineering Center of Excellence (HSECoE) as the initial chemical hydride of study because of its high hydrogen storage capacity (up to 19.6% by weight for the release of {approx}2.5 molar equivalents of hydrogen gas) and its stability under typical ambient conditions. A new systems concept based on augers, ballast tank, hydrogen heat exchanger and H2 burner was designed and implemented in simulation. In this design, the chemical hydride material was assumed to produce H2 on the augers itself, thus minimizing the size of ballast tank and reactor. One dimensional models based on conservation of mass, species and energy were used to predict important state variables such as reactant and product concentrations, temperatures of various components, flow rates, along with pressure, in various components of the storage system. Various subsystem components in the models were coded as C language S-functions and implemented in Matlab/Simulink environment. The control variable AB (or alane) flow rate was determined through a simple expression based on the ballast tank pressure, H2 demand from the fuel cell and hydrogen production from AB (or alane) in the reactor. System simulation results for solid AB, liquid AB and alane for both steady state and transient drive cycle cases indicate the usefulness of the model for further analysis and prototype development.
Devarakonda, Maruthi N.; Brooks, Kriston P.; Ronnebro, Ewa; Rassat, Scot D.
Research utilization in the building industry: decision model and preliminary assessment
The Research Utilization Program was conceived as a far-reaching means for managing the interactions of the private sector and the federal research sector as they deal with energy conservation in buildings. The program emphasizes a private-public partnership in planning a research agenda and in applying the results of ongoing and completed research. The results of this task support the hypothesis that the transfer of R and D results to the buildings industry can be accomplished more efficiently and quickly by a systematic approach to technology transfer. This systematic approach involves targeting decision makers, assessing research and information needs, properly formating information, and then transmitting the information through trusted channels. The purpose of this report is to introduce elements of a market-oriented knowledge base, which would be useful to the Building Systems Division, the Office of Buildings and Community Systems and their associated laboratories in managing a private-public research partnership on a rational systematic basis. This report presents conceptual models and data bases that can be used in formulating a technology transfer strategy and in planning technology transfer programs.
Watts, R.L.; Johnson, D.R.; Smith, S.A.; Westergard, E.J.
Dynamics of the UK Natural Gas Industry: System Dynamics Modelling and Long-Term Energy Policy Analysis
www.eprg.group.cam.ac.uk E P R G W O R K IN G P A P E R N O N -T E C H N IC A L S U M M A R Y DYNAMICS OF THE UK NATURAL GAS INDUSTRY: SYSTEM DYNAMICS MODELLING AND LONG-TERM ENERGY POLICY ANALYSIS EPRG Working Paper 0913... Cambridge Working Paper in Economics 0922 Kong Chyong Chi , David M. Reiner and William J. Nuttall The UK offshore natural gas and oil industry has a long and successful history and has been said to represent the pride of UK...
Chi, K C; Reiner, David; Nuttall, William J
NEMS industrial module documentation report
The NEMS Industrial Demand Model is a dynamic accounting model, bringing together the disparate industries and uses of energy in those industries, and putting them together in an understandable and cohesive framework. The Industrial Model generates mid-term (up to the year 2010) forecasts of industrial sector energy demand as a component of the NEMS integrated forecasting system. From the NEMS system, the Industrial Model receives fuel prices, employment data, and the value of output of industrial activity. Based on the values of these variables, the Industrial Model passes back to the NEMS system estimates of consumption by fuel types.
CURRENT - A Computer Code for Modeling Two-Dimensional, Chemically Reaccting, Low Mach Number Flows
This report documents CURRENT, a computer code for modeling two- dimensional, chemically reacting, low Mach number flows including the effects of surface chemistry. CURRENT is a finite volume code based on the SIMPLER algorithm. Additional convergence acceleration for low Peclet number flows is provided using improved boundary condition coupling and preconditioned gradient methods. Gas-phase and surface chemistry is modeled using the CHEMKIN software libraries. The CURRENT user-interface has been designed to be compatible with the Sandia-developed mesh generator and post processor ANTIPASTO and the post processor TECPLOT. This report describes the theory behind the code and also serves as a user`s manual.
Winters, W.S.; Evans, G.H.; Moen, C.D.
Autoignition of toluene reference fuels at high pressures modeled with detailed chemical kinetics
A detailed chemical kinetic model for the autoignition of toluene reference fuels (TRF) is presented. The toluene submechanism added to the Lawrence Livermore Primary Reference Fuel (PRF) mechanism was developed using recent shock tube autoignition delay time data under conditions relevant to HCCI combustion. For two-component fuels the model was validated against recent high-pressure shock tube autoignition delay time data for a mixture consisting of 35% n-heptane and 65% toluene by liquid volume. Important features of the autoignition of the mixture proved to be cross-acceleration effects, where hydroperoxy radicals produced during n-heptane oxidation dramatically increased the oxidation rate of toluene compared to the case when toluene alone was oxidized. Rate constants for the reaction of benzyl and hydroperoxyl radicals previously used in the modeling of the oxidation of toluene alone were untenably high for modeling of the mixture. To model both systems it was found necessary to use a lower rate and introduce an additional branching route in the reaction between benzyl radicals and O{sub 2}. Good agreement between experiments and predictions was found when the model was validated against shock tube autoignition delay data for gasoline surrogate fuels consisting of mixtures of 63-69% isooctane, 14-20% toluene, and 17% n-heptane by liquid volume. Cross reactions such as hydrogen abstractions between toluene and alkyl and alkylperoxy radicals and between the PRF were introduced for completion of chemical description. They were only of small importance for modeling autoignition delays from shock tube experiments, even at low temperatures. A single-zone engine model was used to evaluate how well the validated mechanism could capture autoignition behavior of toluene reference fuels in a homogeneous charge compression ignition (HCCI) engine. The model could qualitatively predict the experiments, except in the case with boosted intake pressure, where the initial temperature had to be increased significantly in order to predict the point of autoignition. (author)
Andrae, J.C.G. [Department of Chemical Engineering and Technology, Royal Institute of Technology, SE-100 44 Stockholm (Sweden); Shell Global Solutions, P.O. Box 1, Chester CH1 3SH (United Kingdom); Bjoernbom, P. [Department of Chemical Engineering and Technology, Royal Institute of Technology, SE-100 44 Stockholm (Sweden); Cracknell, R.F.; Kalghatgi, G.T. [Shell Global Solutions, P.O. Box 1, Chester CH1 3SH (United Kingdom)
Financial Impact of Good Condenser Vacuum in Industrial Steam Turbines: Computer Modeling Techniques
Industrial turbine throttle conditions are fixed by plant designs - materials of construction, steam requirements, etc. Condensing turbine exhaust conditions are limited by the atmosphere to which residual heat is rejected; and are fixed...
Viar, W. L.
Model for multi-strata safety performance measurements in the process industry
are available to the public. Many organizations collect data on industrial incidents. These organizations differ from each other in their interests, data collection procedures, definitions, and scope, and each of them analyzes its data to achieve its objectives...
Keren, Nir
Using a total landed cost model to foster global logistics strategy in the electronics industry
Global operation strategies have been widely used in the last several decades as many companies and industries have taken advantage of lower production costs. However, in choosing a location, companies often only consider ...
Jearasatit, Apichart
A new chemical model is presented that simulates fully coupled gas-phase, grain-surface, and bulk-ice chemistry in hot cores. Glycine (NH{sub 2}CH{sub 2}COOH), the simplest amino acid, and related molecules such as glycinal, propionic acid, and propanal, are included in the chemical network. Glycine is found to form in moderate abundance within and upon dust-grain ices via three radical-addition mechanisms, with no single mechanism strongly dominant. Glycine production in the ice occurs over temperatures {approx}40-120 K. Peak gas-phase glycine fractional abundances lie in the range 8 Multiplication-Sign 10{sup -11}-8 Multiplication-Sign 10{sup -9}, occurring at {approx}200 K, the evaporation temperature of glycine. A gas-phase mechanism for glycine production is tested and found insignificant, even under optimal conditions. A new spectroscopic radiative-transfer model is used, allowing the translation and comparison of the chemical-model results with observations of specific sources. Comparison with the nearby hot-core source NGC 6334 IRS1 shows excellent agreement with integrated line intensities of observed species, including methyl formate. The results for glycine are consistent with the current lack of a detection of this molecule toward other sources; the high evaporation temperature of glycine renders the emission region extremely compact. Glycine detection with ALMA is predicted to be highly plausible, for bright, nearby sources with narrow emission lines. Photodissociation of water and subsequent hydrogen abstraction from organic molecules by OH, and NH{sub 2}, are crucial to the buildup of complex organic species in the ice. The inclusion of alternative branches within the network of radical-addition reactions appears important to the abundances of hot-core molecules; less favorable branching ratios may remedy the anomalously high abundance of glycolaldehyde predicted by this and previous models.
Garrod, Robin T., E-mail: email@example.com [Center for Radiophysics and Space Research, Cornell University, Ithaca, NY 14853-6801 (United States)
Atmospheric aerosols, suspensions of solid or liquid particles, are an important multi-phase system. Aerosols scatter and absorb shortwave (solar) radiation, affecting climate (Charlson et al., 1992; Schwartz, 1996) and visibility; nucleate cloud droplet formation, modifying the reflectivity of clouds (Twomey et al., 1984; Schwartz and Slingo, 1996) as well as contributing to composition of cloudwater and to wet deposition (Seinfeld and Pandis, 1998); and affect human health through inhalation (NRC, 1998). Existing and prospective air quality regulations impose standards on concentrations of atmospheric aerosols to protect human health and welfare (EPA, 1998). Chemical transport and transformation models representing the loading and geographical distribution of aerosols and precursor gases are needed to permit development of effective and efficient strategies for meeting air quality standards, and for examining aerosol effects on climate retrospectively and prospectively for different emissions scenarios. Important aerosol properties and processes depend on their size distribution: light scattering, cloud nucleating properties, dry deposition, and penetration into airways of lungs. The evolution of the mass loading itself depends on particle size because of the size dependence of growth and removal processes. For these reasons it is increasingly recognized that chemical transport and transformation models must represent not just the mass loading of atmospheric particulate matter but also the aerosol microphysical properties and the evolution of these properties if aerosols are to be accurately represented in these models. If the size distribution of the aerosol is known, a given property can be evaluated as the integral of the appropriate kernel function over the size distribution. This has motivated the approach of determining aerosol size distribution, and of explicitly representing this distribution and its evolution in chemical transport models.
CPUF - a chemical-structure-based polyurethane foam decomposition and foam response model.
A Chemical-structure-based PolyUrethane Foam (CPUF) decomposition model has been developed to predict the fire-induced response of rigid, closed-cell polyurethane foam-filled systems. The model, developed for the B-61 and W-80 fireset foam, is based on a cascade of bondbreaking reactions that produce CO2. Percolation theory is used to dynamically quantify polymer fragment populations of the thermally degrading foam. The partition between condensed-phase polymer fragments and gas-phase polymer fragments (i.e. vapor-liquid split) was determined using a vapor-liquid equilibrium model. The CPUF decomposition model was implemented into the finite element (FE) heat conduction codes COYOTE and CALORE, which support chemical kinetics and enclosure radiation. Elements were removed from the computational domain when the calculated solid mass fractions within the individual finite element decrease below a set criterion. Element removal, referred to as ?element death,? creates a radiation enclosure (assumed to be non-participating) as well as a decomposition front, which separates the condensed-phase encapsulant from the gas-filled enclosure. All of the chemistry parameters as well as thermophysical properties for the CPUF model were obtained from small-scale laboratory experiments. The CPUF model was evaluated by comparing predictions to measurements. The validation experiments included several thermogravimetric experiments at pressures ranging from ambient pressure to 30 bars. Larger, component-scale experiments were also used to validate the foam response model. The effects of heat flux, bulk density, orientation, embedded components, confinement and pressure were measured and compared to model predictions. Uncertainties in the model results were evaluated using a mean value approach. The measured mass loss in the TGA experiments and the measured location of the decomposition front were within the 95% prediction limit determined using the CPUF model for all of the experiments where the decomposition gases were vented sufficiently. The CPUF model results were not as good for the partially confined radiant heat experiments where the vent area was regulated to maintain pressure. Liquefaction and flow effects, which are not considered in the CPUF model, become important when the decomposition gases are confined.
Fletcher, Thomas H. (Brigham Young University, Provo, UT); Thompson, Kyle Richard; Erickson, Kenneth L.; Dowding, Kevin J.; Clayton, Daniel (Brigham Young University, Provo, UT); Chu, Tze Yao; Hobbs, Michael L.; Borek, Theodore Thaddeus III
Industrial Permit
Protection Obeying Environmental Laws Industrial Permit Industrial Permit The Industrial Permit authorizes the Laboratory to discharge point-source effluents under the...
The U.S. Department of Energy (DOE), Office of Environmental Management (EM) is sponsoring an international, collaborative project to develop a fundamental model for sulfate solubility in nuclear waste glass. The solubility of sulfate has a significant impact on the achievable waste loading for nuclear waste forms both within the DOE complex and to some extent at U.K. sites. The development of enhanced borosilicate glass compositions with improved sulfate solubility will allow for higher waste loadings and accelerated cleanup missions. Much of the previous work on improving sulfate retention in waste glasses has been done on an empirical basis, making it difficult to apply the findings to future waste compositions despite the large number of glass systems studied. A more fundamental, rather than empirical, model of sulfate solubility in glass, under development at Sheffield Hallam University (SHU), could provide a solution to the issues of sulfate solubility. The model uses the normalized cation field strength index as a function of glass composition to predict sulfate capacity, and has shown early success for some glass systems. The objective of the current scope is to mature the sulfate solubility model to the point where it can be used to guide glass composition development for DOE waste vitrification efforts, allowing for enhanced waste loadings and waste throughput. A series of targeted glass compositions was selected to resolve data gaps in the current model. SHU fabricated these glasses and sent samples to the Savannah River National Laboratory (SRNL) for chemical composition analysis. SHU will use the resulting data to enhance the sulfate solubility model and resolve any deficiencies. In this report, SRNL provides chemical analyses for simulated waste glasses fabricated SHU in support of sulfate solubility model development. A review of the measured compositions revealed that there are issues with the B{sub 2}O{sub 3} and Fe{sub 2}O{sub 3} concentrations missing their targeted values by a significant amount for several of the study glasses. SHU is reviewing the fabrication of these glasses and the chemicals used in batching them to identify the source of these issues. The measured sulfate concentrations were all below their targeted values. This is expected, as the targeted concentrations likely exceeded the solubility limit for sulfate in these glass compositions. Some volatilization of sulfate may also have occurred during fabrication of the glasses. Measurements of the other oxides in the study glasses were reasonably close to their targeted values
Fox, K.; Marra, J.
Chemical Kinetic Modeling of Non-Petroleum Based Fuels | Department of
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:YearRound-Up fromDepartmentTieCelebrate Earth DayFuels Chemical Kinetic Modeling of Fuels 2010
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:YearRound-Up fromDepartmentTieCelebrate Earth DayFuels Chemical Kinetic Modeling of Fuels
THE JOURNAL OF CHEMICAL PHYSICS 140, 224502 (2014) Search for a liquid-liquid critical point in models of silica
from pure sil- ica are widely used by the telecommunications industry and, because silica and silicates in models of silica Erik Lascaris,1 Mahin Hemmati,2 Sergey V. Buldyrev,3 H. Eugene Stanley,1 and C. Austen indicated the possible existence of a liquid-liquid critical point (LLCP) in models of silica at high
Stanley, H. Eugene
Comparing three vegetation monoterpene emission models to measured gas concentrations with a model of meteorology, air chemistry and chemical transport
Biogenic volatile organic compounds (BVOCs) are essential in atmospheric chemistry because of their chemical reactions that produce and destroy tropospheric ozone, their effects on aerosol formation and growth, and their potential influence on global warming. As one of the important BVOC groups, monoterpenes have been a focus of scientific attention in atmospheric research. Detailed regional measurements and model estimates are needed to study emission potential and the monoterpene budget on a global scale. Since the use of empirical measurements for upscaling is limited by many physical and biological factors such as genetic variation, temperature and light, water availability, seasonal changes, and environmental stresses, comprehensive inventories over larger areas are difficult to obtain.
Smolander, S.; He, Q.; Mogensen, Ditte; Zhou, L.; Back, J.; Ruuskanen, T.; Noe, S.; Guenther, Alex B.; Aaltonen, H.; Kulmala, M.; Boy, Michael
CHP Modeling as a Tool for Electric Power Utilities to Understand Major Industrial Customers
for optimum rate design. REFERENCES 1. Kumana, J D and R Nath, "Demand Side Dispatching, Part 1 - A Novel Approach for Industrial Load Shaping Applications", IETC Proceedings (March 93) 2. R Nath, D A Cerget, and E T Henderson, "Demand Side... Dispatching, Part 2 - An Industrial Application", IETC Proceedings (March 93) 3. R Nath and J D Kumana, "NOx Dispatching in Plant Utility Systems using Existing Software Tools", IETC Proceedings (April 92) 4. R Nath, J D KUJIl3I13, and J F Holiday...
Kumana, J. D.; Alanis, F. J.; Swad, T.; Shah, J. V.
or ChemiCal engineering?
Chemistry or ChemiCal engineering? Do both at Wits! www.wits.ac.za #12;Chemistry or ChemiCal by a BScEng (Chem Eng)! Which should I choose: Chemistry or Chemical Engineering? Because the chemist and the chemical engineer work so closely in industry, there is little doubt that the chemical engineer who has
Wagner, Stephan
Physical and Computational Modeling for Chemical and Biological Weapons Airflow Applications
There is a need for information on dispersion and infiltration of chemical and biological agents in complex building environments. A recent collaborative study conducted at the Idaho National Engineering and Environmental Laboratory (INEEL) and Bechtel Corporation Research and Development had the objective of assessing computational fluid dynamics (CFD) models for simulation of flow around complicated buildings through a comparison of experimental and numerical results. The test facility used in the experiments was INEEL�s unique large Matched-Index-of-Refraction (MIR) flow system. The CFD code used for modeling was Fluent, a widely available commercial flow simulation package. For the experiment, a building plan was selected to approximately represent an existing facility. It was found that predicted velocity profiles from above the building and in front of the building were in good agreement with the measurements.
McEligot, Donald Marinus; Mc Creery, Glenn Ernest; Pink, Robert John; Barringer, C.; Knight, K. J.
Quantum chemical approach for condensed-phase thermochemistry: Proposal of a harmonic solvation model
We propose a novel quantum chemical method, called the harmonic solvation model (HSM), for calculating thermochemical parameters in the condensed phase, particularly in the liquid phase. The HSM represents translational and rotational motions of a solute as vibrations interacting with a cavity wall of solvent molecules. As examples, the HSM and the ideal-gas model (IGM) were used for the standard formation reaction of liquid water, combustion reactions of liquid formic acid, methanol, and ethanol, vapor�liquid equilibration of water and ethanol, and dissolution of gaseous CO{sub 2} in water. The numerical results confirmed the reliability and applicability of the HSM. In particular, the temperature dependence of the Gibbs energy of liquid molecules was accurately reproduced by the HSM; for example, the boiling point of water was reasonably determined using the HSM, whereas the conventional IGM treatment failed to obtain a crossing of the two Gibbs energy curves for gaseous and liquid water.
Nakai, Hiromi, E-mail: email@example.com [Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555 (Japan); Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555 (Japan); CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); ESICB, Kyoto University, Kyotodaigaku-Katsura, Kyoto 615-8520 (Japan); Ishikawa, Atsushi [Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555 (Japan); ESICB, Kyoto University, Kyotodaigaku-Katsura, Kyoto 615-8520 (Japan)
HCCI experiments with toluene reference fuels modeled by a semidetailed chemical kinetic model
A semidetailed mechanism (137 species and 633 reactions) and new experiments in a homogeneous charge compression ignition (HCCI) engine on the autoignition of toluene reference fuels are presented. Skeletal mechanisms for isooctane and n-heptane were added to a detailed toluene submechanism. The model shows generally good agreement with ignition delay times measured in a shock tube and a rapid compression machine and is sensitive to changes in temperature, pressure, and mixture strength. The addition of reactions involving the formation and destruction of benzylperoxide radical was crucial to modeling toluene shock tube data. Laminar burning velocities for benzene and toluene were well predicted by the model after some revision of the high-temperature chemistry. Moreover, laminar burning velocities of a real gasoline at 353 and 500 K could be predicted by the model using a toluene reference fuel as a surrogate. The model also captures the experimentally observed differences in combustion phasing of toluene/n-heptane mixtures, compared to a primary reference fuel of the same research octane number, in HCCI engines as the intake pressure and temperature are changed. For high intake pressures and low intake temperatures, a sensitivity analysis at the moment of maximum heat release rate shows that the consumption of phenoxy radicals is rate-limiting when a toluene/n-heptane fuel is used, which makes this fuel more resistant to autoignition than the primary reference fuel. Typical CPU times encountered in zero-dimensional calculations were on the order of seconds and minutes in laminar flame speed calculations. Cross reactions between benzylperoxy radicals and n-heptane improved the model predictions of shock tube experiments for {phi}=1.0 and temperatures lower than 800 K for an n-heptane/toluene fuel mixture, but cross reactions had no influence on HCCI simulations. (author)
Andrae, J.C.G. [Department of Chemical Engineering and Technology, Royal Institute of Technology (KTH), SE-100 44 Stockholm (Sweden); Brinck, T. [Department of Physical Chemistry, Royal Institute of Technology (KTH), SE-100 44 Stockholm (Sweden); Kalghatgi, G.T. [Shell Global Solutions (UK), P.O. Box 1, Chester CH1 3SH (United Kingdom)
Dispersion model for elevated dense-gas-jet chemical releases (DOMS/DEGADIS) (for microcomputers). Software
The computer program, Ooms/DEGADIS, found on these diskettes and described in the EPA report entitled, A Dispersion Model for Elevated Dense Gas Jet Chemical Releases - Volumes 1 and 2 (EPA 450/4-88-006a and b), is a VAX-operational program designed to simulate the dispersion of heavier-than-air gases which are emitted into the atmosphere with significant velocity through elevated ports. The program incorporates the sequential execution of two models. The first one (Ooms) calculates the trajectory and dispersion of the gas plume as it falls to the ground. The second (DEGADIS) calculates the downwind dispersion of the plume after it touches the ground. Users are referred to the Preface in the User's Guide for specific instructions for program implementation...Software Description: The program is written in FORTRAN with specific intent for compilation and execution on a Digital Equipment Corporation VAX computer. Implementation of the model on any other computer system may be attempted at the risk of the user. To facilitate dissemination of the model, it is being provided on two PC-compatible diskettes. The model should be uploaded via modem from a PC terminal to host VAX computer, and several files must then be renamed prior to compilation and execution.
Guinnup, D.
Modeling precipitation from concentrated solutions with the EQ3/6 chemical speciation codes
One of the more important uncertainties of using chemical speciation codes to study dissolution and precipitation of compounds is the results of modeling which depends on the particular thermodynamic database being used. The authors goal is to investigate the effects of different thermodynamic databases on modeling precipitation from concentrated solutions. They used the EQ3/6 codes and the supplied databases to model precipitation in this paper. One aspect of this goal is to compare predictions of precipitation from ideal solutions to similar predictions from nonideal solutions. The largest thermodynamic databases available for use by EQ3/6 assume that solutions behave ideally. However, two databases exist that allow modeling nonideal solutions. The two databases are much less extensive than the ideal solution data, and they investigated the comparability of modeling ideal solutions and nonideal solutions. They defined four fundamental problems to test the EQ3/6 codes in concentrated solutions. Two problems precipitate Ca(OH){sub 2} from solutions concentrated in Ca{sup ++}. One problem tests the precipitation of Ca(OH){sub 2} from high ionic strength (high concentration) solutions that are low in the concentrations of precipitating species (Ca{sup ++} in this case). The fourth problem evaporates the supernatant of the problem with low concentrations of precipitating species. The specific problems are discussed.
Brown, L.F.; Ebinger, M.H.
Future scenarios for green chemical supply chains
We live in an age where industrial chemicals are central to the modem economy serving as the basis for all man-made fibers, life-science chemicals and consumer products. Owing to globalization, the industry has grown to ...
Arora, Vibhu, M. Eng. Massachusetts Institute of Technology
Global Optimization of Chemical Reactors and Kinetic Optimization
Networks. Industrial & Engineering Chemistry Research. 2013;Models, Industrial & Engineering Chemistry. Glasser, D. ,networks. Industrial & Engineering Chemistry Research 2008a;
Determination of Electrochemical Performance and Thermo-Mechanical-Chemical Stability of SOFCs from Defect Modeling
This research was focused on two distinct but related issues. The first issue concerned using defect modeling to understand the relationship between point defect concentration and the electrochemical, thermo-chemical and mechano-chemical properties of typical solid oxide fuel cell (SOFC) materials. The second concerned developing relationships between the microstructural features of SOFC materials and their electrochemical performance. To understand the role point defects play in ceramics, a coherent analytical framework was used to develop expressions for the dependence of thermal expansion and elastic modulus on point defect concentration in ceramics. These models, collectively termed the continuum-level electrochemical model (CLEM), were validated through fits to experimental data from electrical conductivity, I-V characteristics, elastic modulus and thermo-chemical expansion experiments for (nominally pure) ceria, gadolinia-doped ceria (GDC) and yttria-stabilized zirconia (YSZ) with consistently good fits. The same values for the material constants were used in all of the fits, further validating our approach. As predicted by the continuum-level electrochemical model, the results reveal that the concentration of defects has a significant effect on the physical properties of ceramic materials and related devices. Specifically, for pure ceria and GDC, the elastic modulus decreased while the chemical expansion increased considerably in low partial pressures of oxygen. Conversely, the physical properties of YSZ remained insensitive to changes in oxygen partial pressure within the studied range. Again, the findings concurred exactly with the predictions of our analytical model. Indeed, further analysis of the results suggests that an increase in the point defect content weakens the attractive forces between atoms in fluorite-structured oxides. The reduction treatment effects on the flexural strength and the fracture toughness of pure ceria were also evaluated at room temperature. The results reveal that the flexural strength decreases significantly after heat treatment in very low oxygen partial pressure environments; however, in contrast, fracture toughness is increased by 30-40% when the oxygen partial pressure was decreased to 10{sup -20} to 10{sup -22} atm range. Fractographic studies show that microcracks developed at 800 oC upon hydrogen reduction are responsible for the decreased strength. To understand the role of microstructure on electrochemical performance, electrical impedance spectra from symmetric LSM/YSZ/LSM cells was de-convoluted to obtain the key electrochemical components of electrode performance, namely charge transfer resistance, surface diffusion of reactive species and bulk gas diffusion through the electrode pores. These properties were then related to microstructural features, such as triple-phase boundary length and tortuosity. From these experiments we found that the impedance due to oxygen adsorption obeys a power law with pore surface area, while the impedance due to charge transfer is found to obey a power-law with respect to triple phase boundary length. A model based on kinetic theory explaining the power-law relationships observed was then developed. Finally, during our EIS work on the symmetric LSM/YSZ/LSM cells a technique was developed to improve the quality of high-frequency impedance data and their subsequent de-convolution.
Eric Wachsman; Keith L. Duncan
Model-based testing in the automotive industry challenges and solutions
Test specification System integration testing model-based Test executionTest model Documentation... Requirements System integration testing model-based SUT Sensors/busses Input interfaces Actors/busses Output interfaces #12;9 Overview 1. Model-based system integration testing 2. Integrating external models in the HW
Peleska, Jan - Fachbereich 3
The Mork Family Department of Chemical
in automotive and space-related industries to materials used in the biomedical and electronics elds. Chemical
Zhou, Chongwu
Two-Component Galactic Bulge Probed with Renewed Galactic Chemical Evolution Model
Results of recent observations of the Galactic bulge demand that we discard a simple picture of its formation, suggesting the presence of two stellar populations represented by two peaks of stellar metallicity distribution (MDF) in the bulge. To assess this issue, we construct Galactic chemical evolution models that have been updated in two respects: First, the delay time distribution (DTD) of type Ia supernovae (SNe Ia) recently revealed by extensive SN Ia surveys is incorporated into the models. Second, the nucleosynthesis clock, the s-processing in asymptotic giant branch (AGB) stars, is carefully considered in this study. This novel model first shows that the Galaxy feature tagged by the key elements, Mg, Fe, Ba for the bulge as well as thin and thick disks is compatible with a short-delay SN Ia. We present a successful modeling of a two-component bulge including the MDF and the evolutions of [Mg/Fe] and [Ba/Mg], and reveal its origin as follows. A metal-poor component (~-0.5) is formed with a relatively ...
Tsujimoto, Takuji
Enhanced Geothermal Systems Research and Development: Models of Subsurface Chemical Processes Affecting Fluid Flow
Successful exploitation of the vast amount of heat stored beneath the earth�s surface in hydrothermal and fluid-limited, low permeability geothermal resources would greatly expand the Nation�s domestic energy inventory and thereby promote a more secure energy supply, a stronger economy and a cleaner environment. However, a major factor limiting the expanded development of current hydrothermal resources as well as the production of enhanced geothermal systems (EGS) is insufficient knowledge about the chemical processes controlling subsurface fluid flow. With funding from past grants from the DOE geothermal program and other agencies, we successfully developed advanced equation of state (EOS) and simulation technologies that accurately describe the chemistry of geothermal reservoirs and energy production processes via their free energies for wide XTP ranges. Using the specific interaction equations of Pitzer, we showed that our TEQUIL chemical models can correctly simulate behavior (e.g., mineral scaling and saturation ratios, gas break out, brine mixing effects, down hole temperatures and fluid chemical composition, spent brine incompatibilities) within the compositional range (Na-K-Ca-Cl-SO4-CO3-H2O-SiO2-CO2(g)) and temperature range (T < 350�C) associated with many current geothermal energy production sites that produce brines with temperatures below the critical point of water. The goal of research carried out under DOE grant DE-FG36-04GO14300 (10/1/2004-12/31/2007) was to expand the compositional range of our Pitzer-based TEQUIL fluid/rock interaction models to include the important aluminum and silica interactions (T < 350�C). Aluminum is the third most abundant element in the earth�s crust; and, as a constituent of aluminosilicate minerals, it is found in two thirds of the minerals in the earth�s crust. The ability to accurately characterize effects of temperature, fluid mixing and interactions between major rock-forming minerals and hydrothermal and/or injected fluids is critical to predict important chemical behaviors affecting fluid flow, such as mineral precipitation/dissolution reactions. We successfully achieved the project goal and objectives by demonstrating the ability of our modeling technology to correctly predict the complex pH dependent solution chemistry of the Al3+ cation and its hydrolysis species: Al(OH)2+, Al(OH)2+, Al(OH)30, and Al(OH)4- as well as the solubility of common aluminum hydroxide and aluminosilicate minerals in aqueous brines containing components (Na, K, Cl) commonly dominating hydrothermal fluids. In the sodium chloride system, where experimental data for model parameterization are most plentiful, the model extends to 300�C. Determining the stability fields of aluminum species that control the solubility of aluminum-containing minerals as a function of temperature and composition has been a major objective of research in hydrothermal chemistry.
Moller, Nancy; Weare J. H.
The following are appendices A, B1 and B2 of our paper, "Integrated Process Modeling and Product Design of Biodiesel Manufacturing", that appears in the Industrial and
Design of Biodiesel Manufacturing", that appears in the Industrial and Engineering Chemistry Research a Biodiesel Process Model To access NIST TDE Data Engine in Aspen Plus version 2006.5 or V7.0 Step 1. Enter
Liu, Y. A.
Industrial Conflict, Mass Demonstrations, and Economic and Political Change in Postwar France: An Econometric Model
Business Cycle: An Econometric Analysis. Oxford, Blackwell,in Postwar France: An Econometric Model Monique Borrel I.to political vagaries. The econometric model presented here
Borrel, Monique J
Chemical Enrichment at High Redshifts: Understanding the Nature of Damped Ly$?$ Systems in Hierarchical Models
We use cosmological hydrodynamical simulations including star formation and metal enrichment to study the evolution of the chemical properties of galaxy-like objects at high redshift in the range $0.25Hydrogen column densities with abundances and scatter comparable to those observed in damped Lyman-$\\alpha$ systems (DLAs).The unweighted mean of abundance ratios and least square linear regressions through the simulated DLAs yield intrinsic metallicity evolution for the [Zn/H] and [Fe/H], consistent with results obtained from similar analysis of available observations. Our model statistically reproduces the mild evolution detected in the metallicity of the neutral hydrogen content of the Universe, given by mass-weighted means,if observational constraints are considered (as suggested by Boiss\\'ee et al. 1998). For the $\\alpha$-elements in the simulated DLAs, we find neither enhancement nor dependence on metallicity. Our results support the hypotheses that DLAs trace a variety of galactic objects with different formation histories and that both SNI and SNII are contributing to the chemical enrichment of the gas component at least since $z \\approx 2$. This study indicates that DLAs could be understood as the building blocks that merged to form today normal galaxies within a hierarchical clustering scenario.
P. B. Tissera; D. G. Lambas M. B. Mosconi; S. A. Cora
Beyond the pseudo-time-dependent approach: chemical models of dense core precursors
Context: Chemical models of dense cloud cores often utilize the so-called pseudo-time-dependent approximation, in which the physical conditions are held fixed and uniform as the chemistry occurs. In this approximation, the initial abundances chosen, which are totally atomic in nature except for molecular hydrogen, are artificial. A more detailed approach to the chemistry of dense cold cores should include the physical evolution during their early stages of formation. Aims: Our major goal is to investigate the initial synthesis of molecular ices and gas-phase molecules as cold molecular gas begins to form behind a shock in the diffuse interstellar medium. The abundances calculated as the conditions evolve can then be utilized as reasonable initial conditions for a theory of the chemistry of dense cores. Methods: Hydrodynamic shock-wave simulations of the early stages of cold core formation are used to determine the time-dependent physical conditions for a gas-grain chemical network. We follow the cold post-sho...
Hassel, G E; Bergin, E A
Geothermal: Sponsored by OSTI -- Industrial Sector Technology...
Office of Scientific and Technical Information (OSTI)
Industrial Sector Technology Use Model (ISTUM): industrial energy use in the United States, 1974-2000. Volume 1. Primary model documentation. Final report...
Modelling cycle to cycle variations in an SI engine with detailed chemical kinetics
This paper presents experimental results and a new computational model that investigate cycle to cycle variations (CCV) in a spark ignition (SI) engine. An established stochastic reactor model (SRM) previously used to examine homogeneous charge compression ignition (HCCI) combustion has been extended by spark initiation, flame propagation and flame termination sub-models in order to simulate combustion in SI engines. The model contains a detailed chemical mechanism but relatively short computation times are achieved. The flame front is assumed to be spherical and centred at the spark location, and a pent roof and piston bowl geometry are accounted for. The model is validated by simulating the pressure profile and emissions from an iso-octane fuelled single cylinder research engine that showed low CCV. The effects of key parameters are investigated. Experimental results that show cycle to cycle fluctuations in a four-cylinder naturally aspirated gasoline fuelled SI engine are presented. The model is then coupled with GT-Power, a one-dimensional engine simulation tool, which is used to simulate the breathing events during a multi-cycle simulation. This allows an investigation of the cyclic fluctuations in peak pressure. The source and magnitude of nitric oxide (NO) emissions produced by different cycles are then investigated. It was found that faster burning cycles result in increased NO emissions compared with cycles that have a slower rate of combustion and that more is produced in the early stages of combustion compared with later in the cycle. The majority of NO was produced via the thermal mechanism just after combustion begins. (author)
Etheridge, Jonathan; Mosbach, Sebastian; Kraft, Markus [Department of Chemical Engineering and Biotechnology, University of Cambridge (United Kingdom); Wu, Hao; Collings, Nick [Department of Engineering, University of Cambridge (United Kingdom)
Modeling Wettability Alteration using Chemical EOR Processes in Naturally Fractured Reservoirs
The objective of our search is to develop a mechanistic simulation tool by adapting UTCHEM to model the wettability alteration in both conventional and naturally fractured reservoirs. This will be a unique simulator that can model surfactant floods in naturally fractured reservoir with coupling of wettability effects on relative permeabilities, capillary pressure, and capillary desaturation curves. The capability of wettability alteration will help us and others to better understand and predict the oil recovery mechanisms as a function of wettability in naturally fractured reservoirs. The lack of a reliable simulator for wettability alteration means that either the concept that has already been proven to be effective in the laboratory scale may never be applied commercially to increase oil production or the process must be tested in the field by trial and error and at large expense in time and money. The objective of Task 1 is to perform a literature survey to compile published data on relative permeability, capillary pressure, dispersion, interfacial tension, and capillary desaturation curve as a function of wettability to aid in the development of petrophysical property models as a function of wettability. The new models and correlations will be tested against published data. The models will then be implemented in the compositional chemical flooding reservoir simulator, UTCHEM. The objective of Task 2 is to understand the mechanisms and develop a correlation for the degree of wettability alteration based on published data. The objective of Task 3 is to validate the models and implementation against published data and to perform 3-D field-scale simulations to evaluate the impact of uncertainties in the fracture and matrix properties on surfactant alkaline and hot water floods.
Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori
A Sequential Fluid-mechanic Chemical-kinetic Model of Propane HCCI Combustion
We have developed a methodology for predicting combustion and emissions in a Homogeneous Charge Compression Ignition (HCCI) Engine. This methodology combines a detailed fluid mechanics code with a detailed chemical kinetics code. Instead of directly linking the two codes, which would require an extremely long computational time, the methodology consists of first running the fluid mechanics code to obtain temperature profiles as a function of time. These temperature profiles are then used as input to a multi-zone chemical kinetics code. The advantage of this procedure is that a small number of zones (10) is enough to obtain accurate results. This procedure achieves the benefits of linking the fluid mechanics and the chemical kinetics codes with a great reduction in the computational effort, to a level that can be handled with current computers. The success of this procedure is in large part a consequence of the fact that for much of the compression stroke the chemistry is inactive and thus has little influence on fluid mechanics and heat transfer. Then, when chemistry is active, combustion is rather sudden, leaving little time for interaction between chemistry and fluid mixing and heat transfer. This sequential methodology has been capable of explaining the main characteristics of HCCI combustion that have been observed in experiments. In this paper, we use our model to explore an HCCI engine running on propane. The paper compares experimental and numerical pressure traces, heat release rates, and hydrocarbon and carbon monoxide emissions. The results show an excellent agreement, even in parameters that are difficult to predict, such as chemical heat release rates. Carbon monoxide emissions are reasonably well predicted, even though it is intrinsically difficult to make good predictions of CO emissions in HCCI engines. The paper includes a sensitivity study on the effect of the heat transfer correlation on the results of the analysis. Importantly, the paper also shows a numerical study on how parameters such as swirl rate, crevices and ceramic walls could help in reducing HC and CO emissions from HCCI engines.
Aceves, S M; Flowers, D L; Martinez-Frias, J; Smith, J R; Westbrook, C; Pitz, W; Dibble, R; Wright, J F; Akinyemi, W C; Hessel, R P
Many critical infrastructure sectors have been investigating cyber security issues for several years especially with the help of two primary government programs. The U.S. Department of Energy (DOE) National SCADA Test Bed and the U.S. Department of Homeland Security (DHS) Control Systems Security Program have both implemented activities aimed at securing the industrial control systems that operate the North American electric grid along with several other critical infrastructure sectors (ICS). These programs have spent the last seven years working with industry including asset owners, educational institutions, standards and regulating bodies, and control system vendors. The programs common mission is to provide outreach, identification of cyber vulnerabilities to ICS and mitigation strategies to enhance security postures. The success of these programs indicates that a similar approach can be successfully translated into other sectors including nuclear operations, safeguards, and security. The industry regulating bodies have included cyber security requirements and in some cases, have incorporated sets of standards with penalties for non-compliance such as the North American Electric Reliability Corporation Critical Infrastructure Protection standards. These DOE and DHS programs that address security improvements by both suppliers and end users provide an excellent model for nuclear facility personnel concerned with safeguards and security cyber vulnerabilities and countermeasures. It is not a stretch to imagine complete surreptitious collapse of protection against the removal of nuclear material or even initiation of a criticality event as witnessed at Three Mile Island or Chernobyl in a nuclear ICS inadequately protected against the cyber threat.
Robert S. Anderson; Mark Schanfein; Trond Bjornard; Paul Moskowitz
Bottom-up Representation of Industrial Energy Efficiency Technologies in Integrated Assessment Models for the Cement Sector
Adoption of efficient end-use technologies is one of the key measures for reducing greenhouse gas (GHG) emissions. How to effectively analyze and manage the costs associated with GHG reductions becomes extremely important for the industry and policy makers around the world. Energy-climate (EC) models are often used for analyzing the costs of reducing GHG emissions for various emission-reduction measures, because an accurate estimation of these costs is critical for identifying and choosing optimal emission reduction measures, and for developing related policy options to accelerate market adoption and technology implementation. However, accuracies of assessing of GHG-emission reduction costs by taking into account the adoption of energy efficiency technologies will depend on how well these end-use technologies are represented in integrated assessment models (IAM) and other energy-climate models.
Sathaye, J.; Xu, T.; Galitsky, C.
Systems Modeling of Chemical Hydride Hydrogen Storage Materials for Fuel Cell Applications
A fixed bed reactor was designed, modeled and simulated for hydrogen storage on-board the vehicle for PEM fuel cell applications. Ammonia Borane (AB) was selected by DOE's Hydrogen Storage Engineering Center of Excellence (HSECoE) as the initial chemical hydride of study because of its high hydrogen storage capacity (up to {approx}16% by weight for the release of {approx}2.5 molar equivalents of hydrogen gas) and its stability under typical ambient conditions. The design evaluated consisted of a tank with 8 thermally isolated sections in which H2 flows freely between sections to provide ballast. Heating elements are used to initiate reactions in each section when pressure drops below a specified level in the tank. Reactor models in Excel and COMSOL were developed to demonstrate the proof-of-concept, which was then used to develop systems models in Matlab/Simulink. Experiments and drive cycle simulations showed that the storage system meets thirteen 2010 DOE targets in entirety and the remaining four at greater than 60% of the target.
Brooks, Kriston P.; Devarakonda, Maruthi N.; Rassat, Scot D.; Holladay, Jamelyn D.
Industrial Engineering Industrial Advisory Board
Industrial Engineering Industrial Advisory Board (IAB) #12;PURPOSE: The Texas Tech University - Industrial Engineering Industrial Ad- visory Board (IAB) is an association of professionals with a com- mon goal - promoting and developing the Texas Tech Department of Industrial Engineering and its students
Gelfond, Michael
Results of recent observations of the Galactic bulge demand that we discard a simple picture of its formation, suggesting the presence of two stellar populations represented by two peaks of stellar metallicity distribution (MDF) in the bulge. To assess this issue, we construct Galactic chemical evolution models that have been updated in two respects: first, the delay time distribution of Type Ia supernovae (SNe Ia) recently revealed by extensive SN Ia surveys is incorporated into the models. Second, the nucleosynthesis clock, the s-processing in asymptotic giant branch stars, is carefully considered in this study. This novel model first shows that the Galaxy feature tagged by the key elements, Mg, Fe, and Ba, for the bulge as well as thin and thick disks is compatible with a short-delay SN Ia. We present a successful modeling of a two-component bulge including the MDF and the evolutions of [Mg/Fe] and [Ba/Mg], and reveal its origin as follows. A metal-poor component (([Fe/H]) {approx} -0.5) is formed with a relatively short timescale of {approx}1 Gyr. These properties are identical to the thick disk's characteristics in the solar vicinity. Subsequently from its remaining gas mixed with a gas flow from the disk outside the bulge, a metal-rich component (([Fe/H]) {approx} +0.3) is formed with a longer timescale ({approx}4 Gyr) together with a top-heavy initial mass function that might be identified with the thin disk component within the bulge.
Tsujimoto, Takuji [National Astronomical Observatory of Japan, Mitaka-shi, Tokyo 181-8588 (Japan); Bekki, Kenji, E-mail: firstname.lastname@example.com [ICRAR, M468, University of Western Australia, 35 Stirling Highway, Crawley Western Australia 6009 (Australia)
Hydrodynamic Modeling of Air Blast Propagation from the Humble Redwood Chemical High Explosive Detonations Using GEODYN
Two-dimensional axisymmetric hydrodynamic models were developed using GEODYN to simulate the propagation of air blasts resulting from a series of high explosive detonations conducted at Kirtland Air Force Base in August and September of 2007. Dubbed Humble Redwood I (HR-1), these near-surface chemical high explosive detonations consisted of seven shots of varying height or depth of burst. Each shot was simulated numerically using GEODYN. An adaptive mesh refinement scheme based on air pressure gradients was employed such that the mesh refinement tracked the advancing shock front where sharp discontinuities existed in the state variables, but allowed the mesh to sufficiently relax behind the shock front for runtime efficiency. Comparisons of overpressure, sound speed, and positive phase impulse from the GEODYN simulations were made to the recorded data taken from each HR-1 shot. Where the detonations occurred above ground or were shallowly buried (no deeper than 1 m), the GEODYN model was able to simulate the sound speeds, peak overpressures, and positive phase impulses to within approximately 1%, 23%, and 6%, respectively, of the actual recorded data, supporting the use of numerical simulation of the air blast as a forensic tool in determining the yield of an otherwise unknown explosion.
Chipman, V D
Kinetics Study of Solid Ammonia Borane Hydrogen Release � Modeling and Experimental Validation for Chemical Hydrogen Storage
Ammonia borane (AB), NH3BH3, is a promising material for chemical hydrogen storage with 19.6 wt% gravimetric hydrogen capacity of which 16.2 wt% hydrogen can be utilized below 200�C. We have investigated the kinetics of hydrogen release from AB and from an AB-methyl cellulose (AB/MC) composite at temperatures of 160-300�C using both experiments and modeling. The purpose of our study was to show safe hydrogen release without thermal runaway effects and to validate system model kinetics. AB/MC released hydrogen at ~20�C lower than neat AB and at a rate that is two times faster. Based on the experimental results, the kinetics equations were revised to better represent the growth and nucleation process during decomposition of AB. We explored two different reactor concepts; Auger and fixed bed. The current Auger reactor concept turned out to not be appropriate, however, we demonstrated safe self-propagation of the hydrogen release reaction of solid AB/MC in a fixed bed reactor.
Choi, Yong-Joon; Ronnebro, Ewa; Rassat, Scot D.; Karkamkar, Abhijeet J.; Maupin, Gary D.; Holladay, Jamelyn D.; Simmons, Kevin L.; Brooks, Kriston P.
Energy Systems Modeling Symposium Co-Sponsored by
Knowlton School of Architecture, OSU Natural Gas Infrastructure Modeling: From Local Distribution to Transboundary Networks Bhavik Bakshi Chemical and Biomolecular Engineering, OSU The Role of Natural Capital Industrial and Systems Engineering, OSU Integrating Energy Modeling with the Environment, Economy & Society
Improving baseline forecasts in a 500-industry dynamic CGE model of the USA.
??MONASH-style CGE models have been used to generate baseline forecasts illustrating how an economy is likely to evolve through time. One application of such forecasts� (more)
Mavromatis, Peter George
Modeling Treatment Decisions, Costs, and Risk Implications of Regulations for the US Water Supply Industry
Modeling Treatment Decisions, Costs, and Risk Implications of Regulations for the US Water Supply, Carnegie Mellon University ABSTRACT Assessments of the impacts of proposed drinking water standards have. In this research, a new modeling framework is described for evaluating the impacts of multiple drinking water
de Weck, Olivier L.
of these deleterious phases is transient liquid phase bonding (TLP), also known as diffusion brazing. The diffusion and experimental investigations. It was observed that the boron diffusion model and migrating solid were used as base metals; however, silicon diffusion model was more accurate for stainless steel base
Medraj, Mamoun
Chemicals from biomass: an assessment of the potential for production of chemical feedstocks from renewable resources
This assessment of the potential for production of commodity chemicals from renewable biomass resources is based on (1) a Delphi study with 50 recognized authorities to identify key technical issues relevant to production of chemicals from biomass, and (2) a systems model based on linear programming for a commodity chemicals industry using renewable resources and coal as well as gas and petroleum-derived resources. Results from both parts of the assessment indicate that, in the absence of gas and petroleum, coal undoubtedly would be a major source of chemicals first, followed by biomass. The most attractive biomass resources are wood, agricultural residues, and sugar and starch crops. A reasonable approximation to the current product slate for the petrochemical industry could be manufactured using only renewable resources for feedstocks. Approximately 2.5 quads (10/sup 15/ Btu (1.055 x 10/sup 18/ joules)) per year of oil and gas would be released. Further use of biomass fuels in the industry could release up to an additional 1.5 quads. however, such an industry would be unprofitable under current economic conditions with existing or near-commercial technology. As fossil resources become more expensive and biotechnology becomes more efficient, the economics will be more favorable. Use of the chemicals industry model to evaluate process technologies is demonstrated. Processes are identified which have potential for significant added value to the system if process improvements can be made to improve the economics. Guidelines and recommendations for research and development programs to improve the attractiveness of chemicals from biomass are discussed.
Donaldson, T.L.; Culberson, O.L.
Modelling of reactive gas transport in unsaturated soil. A coupled thermo-hydro-chemical-mechanical approach.
??This thesis presents the development of a reactive gas transport equation under coupled framework of thermal, hydraulic, chemical and mechanical (THCM) behaviour of variably saturated� (more)
Masum, Shakil Al
Electrified Separation Processes in Industry
For any separation procedure in the chemical industry, a certain amount of reversible work in the form of free energy is required, as dictated by the second law of thermodynamics. Classical techniques for effecting liquid-phase separations...
Appleby, A. J.
Polybrominated dibenzo-p-dioxins/dibenzofurans and polybrominated diphenyl ethers in soil, vegetation, workshop-floor dust, and electronic shredder residue from an electronic waste recycling facility and in soils from a chemical industrial complex in eastern China
In this study, 11 2,3,7,8-substituted PBDD/Fs and 10 polybrominated diphenyl ether (PBDE) congeners were determined in electronic shredder waste, workshop-floor dust, soil, and leaves (of plants on the grounds of the facility) from a large-scale electronic wastes (e-waste) recycling facility and in surface soil from a chemical-industrial complex (comprising a coke-oven plant, a coal-fired power plant, and a chlor-alkali plant) as well as agricultural areas in eastern China. Total PBDD/F concentrations in environmental samples were in the range of 113-818 pg/g dry wt (dw) for leaves, 392-18,500 pg/g dw for electronic shredder residues, 716-80,0000 pg/g dw for soil samples, and 89,600-14,3000 pg/g dw for workshop-floor dust from the e-waste recycling facility and in a range from nondetect (ND) to 427 pg/g dw in soil from the chemical-industrial complex. The highest mean concentrations of total PBDD/Fs were found in soil samples and workshop-floor dust from the e-waste recycling facility. The dioxin-like toxic equivalent (measured as TEQ) concentrations of PBDD/Fs were greater than the TEQs of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) reported in our previous study for the same set of samples. The concentrations of PBDFs were several orders of magnitude higher than the concentrations of PBDDs in samples from the e-waste facility or from soil from the chemical-industrial complex. A significant correlation was found between the concentrations of {Sigma}PBDD/Fs and {Sigma}PBDEs (r = 0.769, p < 0.01) and between SPBDD/Fs and the previously reported SPCDD/F concentrations (r = 0.805, p < 0.01). The estimated daily human intakes of TEQs contributed by PBDD/Fs via soil/dust ingestion and dermal exposures in e-waste recycling facilities were higher than the intakes of TEQs contributed by PCDD/Fs, calculated in our previous study. 45 refs., 2 figs., 2 tabs.
Jing Ma; Rudolf Addink; Sehun Yun; Jinping Cheng; Wenhua Wang; Kurunthachalam Kannan [Shanghai Jiao Tong University, Shanghai (China). School of Environmental Science and Engineering
Industry Motivated Advancements of Current Combustion Instability Model: The Conversion of
INSTABILITY CHARACTERISTICS IN GAS TURBINES ...................- 5 - 1.5. COMBUSTION INSTABILITYIndustry Motivated Advancements of Current Combustion Instability Model: The Conversion of Volume to thank Dr. Flandro. His eternal knowledge of Combustion Instability has resonated in this work and his
Flandro, Gary A.
Fluid sampling and chemical modeling of geopressured brines containing methane. Final report, March 1980-February 1981
The development of a flowthrough sampler capable of obtaining fluid samples from geopressured wells at temperatures up to 400/sup 0/F and pressures up to 20,000 psi is described. The sampler has been designed, fabricated from MP35N alloy, laboratory tested, and used to obtain fluid samples from a geothermal well at The Geysers, California. However, it has not yet been used in a geopressured well. The design features, test results, and operation of this device are described. Alternative sampler designs are also discussed. Another activity was to review the chemistry and geochemistry of geopressured brines and reservoirs, and to evaluate the utility of available computer codes for modeling the chemistry of geopressured brines. The thermodynamic data bases for such codes are usually the limiting factor in their application to geopressured systems, but it was concluded that existing codes can be updated with reasonable effort and can usefully explain and predict the chemical characteristics of geopressured systems, given suitable input data.
Dudak, B.; Galbraith, R.; Hansen, L.; Sverjensky, D.; Weres, O.
A reduced chemical kinetic model for IC engine combustion simulations with primary reference fuels
A reduced chemical kinetic mechanism for the oxidation of primary reference fuel (PRF) has been developed and applied to model internal combustion engines. Starting from an existing reduced reaction mechanism for n-heptane oxidation, a new reduced n-heptane mechanism was generated by including an additional five species and their relevant reactions, by updating the reaction rate constants of several reactions pertaining to oxidation of carbon monoxide and hydrogen, and by optimizing reaction rate constants of selected reactions. Using a similar approach, a reduced mechanism for iso-octane oxidation was built and combined with the n-heptane mechanism to form a PRF mechanism. The final version of the PRF mechanism consists of 41 species and 130 reactions. Validation of the present PRF mechanism was performed with measurements from shock tube tests, and HCCI and direct injection engine experiments available in the literature. The results show that the present PRF mechanism gives reliable performance for combustion predictions, as well as computational efficiency improvements for multidimensional CFD simulations. (author)
Ra, Youngchul; Reitz, Rolf D. [Engine Research Center, University of Wisconsin-Madison, 1500 Engineering Drive, ERB 1016B, Madison, WI 53706 (United States)
Chemical Evolution
In this series of lectures we first describe the basic ingredients of galactic chemical evolution and discuss both analytical and numerical models. Then we compare model results for the Milky Way, Dwarf Irregulars, Quasars and the Intra-Cluster- Medium with abundances derived from emission lines. These comparisons allow us to put strong constraints on the stellar nucleosynthesis and the mechanisms of galaxy formation.
Francesca Matteucci
Business models and strategies in the video game industry : an analysis of Activision-Blizzard and Electronic Arts
In recent years the video game industry has been of great importance in the business world beyond the role of a cultural medium. With its huge size and potential for more growth, the industry has attracted many newcomers. ...
Lee, Ruri
Chemical and Biochemical
carrying out two experi- ments each semester. Graduates find careers at hospitals, nuclear plants, research how plastics, petrochemicals, or certain foods are made? Chemical engineers develop ways of converting to a variety of industries including the chemical and petrochemical fields and the pharmaceutical and biotech
Neimark, Alexander V.
A coupled THC model of the FEBEX in situ test with bentonite swelling and chemical and thermal osmosis
The performance assessment of a geological repository for radioactive waste requires quantifying the geochemical evolution of the bentonite engineered barrier. This barrier will be exposed to coupled thermal (T), hydrodynamic (H), mechanical (M) and chemical (C) processes. This paper presents a coupled THC model of the FEBEX (Full-scale Engineered Barrier EXperiment) in situ test which accounts for bentonite swelling and chemical and thermal osmosis. Model results attest the relevance of thermal osmosis and bentonite swelling for the geochemical evolution of the bentonite barrier while chemical osmosis is found to be almost irrelevant. The model has been tested with data collected after the dismantling of heater 1 of the in situ test. The model reproduces reasonably well the measured temperature, relative humidity, water content and inferred geochemical data. However, it fails to mimic the solute concentrations at the heater-bentonite and bentonite-granite interfaces because the model does not account for the volume change of bentonite, the CO{sub 2}(g) degassing and the transport of vapor from the bentonite into the granite. The inferred HCO{sub 3}{sup -} and pH data cannot be explained solely by solute transport, calcite dissolution and protonation/deprotonation by surface complexation, suggesting that such data may be affected also by other reactions.
Zheng, L.; Samper, J.; Montenegro, L.
Chemical Science and Technology Laboratory Page 1 Technical Activities Report
Chemical Science and Technology Laboratory Page 1 Technical Activities Report Physical & Chemical Properties Division TABLE OF CONTENTS I. PHYSICAL & CHEMICAL PROPERTIES DIVISION (838.................................................................................................9 1. The NIST WebBook: NIST Chemical Reference Data for Industry
Magee, Joseph W.
TransCom model simulations of CH? and related species: linking transport, surface flux and chemical loss with CH? variability in the troposphere and lower stratosphere
A chemistry-transport model (CTM) intercomparison experiment (TransCom-CH?) has been designed to investigate the roles of surface emissions, transport and chemical loss in simulating the global methane distribution. Model ...
Patra, P. K.
Modeling of a CO chemical laser produced by supersonically mixing CS/S with O/sub 2/
A computer model of a CO chemical laser produced by supersonic mixing of CS/S with O/sub 2/ is presented. The model has been shown to accurately predict measured gain coefficients of P/sub 7/(14) and P/sub 5/(18) lines, hence it was utilized for further parametric studies leading to a better understanding of the processes involved in laser operation. The model predicts high gain and high specific available energy in v = 1..-->..0 to v = 20..-->..19 transitions. A maximum gain was obtained for each of the parameters investigated. For certain operational conditions, complete population inversion was observed.
Tilleman, M.M.; Stricker, J.
Computational fluid dynamics modeling of chemical looping combustion process with calcium sulphate oxygen carrier - article no. A19
To concentrate CO{sub 2} in combustion processes by efficient and energy-saving ways is a first and very important step for its sequestration. Chemical looping combustion (CLC) could easily achieve this goal. A chemical-looping combustion system consists of a fuel reactor and an air reactor. Two reactors in the form of interconnected fluidized beds are used in the process: (1) a fuel reactor where the oxygen carrier is reduced by reaction with the fuel, and (2) an air reactor where the reduced oxygen carrier from the fuel reactor is oxidized with air. The outlet gas from the fuel reactor consists of CO{sub 2} and H{sub 2}O, while the outlet gas stream from the air reactor contains only N{sub 2} and some unused O{sub 2}. The water in combustion products can be easily removed by condensation and pure carbon dioxide is obtained without any loss of energy for separation. Until now, there is little literature about mathematical modeling of chemical-looping combustion using the computational fluid dynamics (CFD) approach. In this work, the reaction kinetic model of the fuel reactor (CaSO{sub 4}+ H{sub 2}) is developed by means of the commercial code FLUENT and the effects of partial pressure of H{sub 2} (concentration of H{sub 2}) on chemical looping combustion performance are also studied. The results show that the concentration of H{sub 2} could enhance the CLC performance.
Baosheng Jin; Rui Xiao; Zhongyi Deng; Qilei Song [Southeast University (China). Key Laboratory of Clean Coal Power Generation and Combustion Technology of Ministry of Education
A Mechanical Model for Erosion in Copper Chemical-Mechanical Polishing
The Chemical-mechanical polishing (CMP) process is now widely employed in the ultralarge scale integration chip fabrication. Due to the continuous advances in semiconductor fabrication technology and decreasing sub-micron ...
Noh, Kyungyoon
Development of a Fast and Detailed Model of Urban-Scale Chemical and Physical Processing
A reduced form metamodel has been produced to simulate the effects of physical, chemical, and meteorological processing of highly reactive trace species in hypothetical urban areas, which is capable of efficiently simulating ...
Prinn, Ronald G.
Physical understanding and modeling of chemical mechanical planarization in dielectric materials
Chemical mechanical planarization (CMP) has become the enabling planarization technique of choice for current and emerging silicon integrated circuit (IC) fabrication processes. This work studies CMP in dielectric materials ...
Xie, Xiaolin, Ph. D. Massachusetts Institute of Technology
An interregional trade flow model for the Texas feed grain industry
of Feedyards 52 '12 10 Percent of Total 24 10 P4 18 VI VII Rei'er to Figure 7 (page 21 }. CHAPTER IV MODEL IMPLEMENTATION The volumes of grain that were used to derive the matrices present- ed in this chapter were obtained from the surveys... 64 REG I IV 2820 2452 624 59872 3652 1385 48 0 N V 907 921 520 1269 93768 339 144 VI 520 241 514 167 29 44246 92 VI I 3004 15655 1233 2591 6/1 2081 7635 Sum of Re)as ( a ) 206?07 86152 22092 68038 s)81 Bc I) R...
Knudson, Lawrence Bruce
Reduce NOx and Improve Energy Efficiency, Software Tools for Industry, Industrial Technologies Program (ITP) (Fact Sheet)
This fact sheet describes how the Industrial Technologies Program NOx and Energy Assessment Tool (NxEAT) can help petroleum refining and chemical plants improve energy efficiency.
Chemical Safety Program - Related Links | Department of Energy
of incidents. American Chemical Society (ACS) American Conference of Government Industrial Hygienists (ACGIH) American Institute of Chemical Engineers (AIChE) American...
Chemical Engineering Journal 113 (2005) 205214 A detailed model of a biofilter for ammonia removal
facilities and other industrial sources. Com- mon air pollution control processes for polluted emissions 935813302; fax: +34 935812013. E-mail address: email@example.com (D. Gabriel). polluted air emissions, Marc A. Deshussesb, Xavier Gamisansa, David Gabrielc,, Javier Lafuentec a Department of Mining
A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions
This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.
Zhang, Fan [ORNL; Yeh, Gour-Tsyh [University of Central Florida, Orlando; Parker, Jack C [ORNL; Brooks, Scott C [ORNL; Pace, Molly [ORNL; Kim, Young Jin [ORNL; Jardine, Philip M [ORNL; Watson, David B [ORNL
11 2011 Society of Chemical Industry and John Wiley & Sons, Ltd | Greenhouse Gas Sci Technol. 1:1120 (2011); DOI: 10.1002/ghg3 Perspective
Keywords: climate change; geologic sequestration; numerical modeling; pressure attenuation; pressure build-up; storage capacity Introduction P ressure build-up caused by the injection of CO2 into deep brine through localized pathways into shallower groundwater resources; and (iii) cause induced seismicity
Zhou, Quanlin
24th European Photovoltaic Solar Energy Conference, Hamburg, Germany, Sept. 2009 HIGLY PREDICTIVE MODELLING OF ENTIRE SI SOLAR CELLS FOR INDUSTRIAL APPLICATIONS
On leave from: Institute for Solar Energy Systems, Sun Yat-Sen University, 510006, Guangzhou, China24th European Photovoltaic Solar Energy Conference, Hamburg, Germany, Sept. 2009 1 HIGLY PREDICTIVE MODELLING OF ENTIRE SI SOLAR CELLS FOR INDUSTRIAL APPLICATIONS P.P. Altermatt,1,2 S. Steingrube,1,2 Y. Yang
ACEEE Summer Study on Energy in Industry, West Point, NY, July 19-22. 1 Modeling and Simulation of Air Compressor Energy Use
compressor energy use to estimate energy savings in compressed air systems from air use reduction and other pressure, and for modeling the change in system pressure as function of compressed air storage volume assessments of mid-sized industries, we found that the average unit energy cost of compressed air ranges from
Kissock, Kelly
Structural-chemical modeling of transition of coals to the plastic state
The structural-chemical simulation of the formation of plastic state during the thermal treatment (pyrolysis, coking) of coals is based on allowance for intermolecular interactions in the organic matter. The feasibility of transition of coals to the plastic state is determined by the ratio between the onset plastic state (softening) and runaway degradation temperatures, values that depend on the petrographic composition and the degree of metamorphism of coals and the distribution of structural and chemical characteristics of organic matter. 33 refs., 8 figs., 2 tabs.
A.M. Gyul'maliev; S.G. Gagarin [FGUP Institute for Fossil Fuels, Moscow (Russian Federation)
Lattice QCD at non-zero chemical potential and the resonance gas model
We present results from lattice calculations on the thermodynamics of QCD at non-zero temperature and baryon chemical potential and discuss the role of resonances for the occurrence of the transition to the quark-gluon plasma in hot and dense matter. Properties of a hadronic resonance gas are compared to lattice results on the equation of state at zero as well as non-zero baryon chemical potential. Furthermore, it is shown that the quark mass dependence of the transition temperature can be understood in terms of lines of constant energy density in a resonance gas.
Frithjof Karsch
Dow Chemical Company: Assessment Leads to Steam System Energy Savings in a Petrochemical Plant; Industrial Technologies Program (ITP) Save Energy Now Case Study (Brochure)
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:YearRound-UpHeat Pump Models |Conduct, Parent(CRADA and DOW AreaJuneDonna FriendHot RocksDow St.
Compensator Control For Chemical Vapor Deposition Film Growth Using Reduced Order Design Models
in a high pressure chemical vapor deposition (HPCVD) reactor that in cludes multiple species and controls optoelectronic integrated circuits. This can sometimes be addressed, in part, through openloop optimization [7 reactor with realtime sensing and control as an innovative feature of this proto type reactor. Previous
Industrial Hygienist
A successful candidate in this position wil l serve as an Industrial Hygienist in the Operations Division, providing technical oversight of the Pacific Northwest National Laboratory contractors...
Resolving discrepancies between hydraulic and chemical calibration data for seawater intrusion groundwater flow models by considering climate-driven sea level change.
Groundwater models of seawater intrusion environments can be calibrated using both hydraulic and chemical information. The possible impact of the long-term transient process of sea level change is difficult to identify, but important to accurate simulation of present conditions. The response times of the pressure and chemical fields to major fluctuations in sea level change are investigated
J. Chapman; A. Hassan; K. Pohlmann
Recent Results of the Hadron Resonance Gas Model and the Chemical Freeze-out of Strange Hadrons
A detailed discussion of recent results obtained within the hadron resonance gas model with the multi-component hard core repulsion is presented. Among them there are the adiabatic chemical freeze-out criterion, the concept of separate chemical freeze-out of strange particles and the effects of enhancement and sharpening of wide resonances and quark gluon bags occurring in a thermal medium. These findings are discussed in order to strengthen the planned heavy-ion collision experimental programs at low collision energies. We argue, that due to found effects, at the center of mass collision energy 4-8 GeV the quark gluon bags may appear directly or in decays as new heavy resonances with the narrow width of about 50-150 MeV and with the mass above 2.5 GeV.
Bugaev, K A; Oliinychenko, D R; Nikonov, E G; Sagun, V V; Zinovjev, G M
- and mixed-phase hydrometeors (cloud ice, snow, graupel, and hail) are often excluded or limited due of interactions of ice-phase cloud hydrometeors with volatile chemicals have found that they may significantly. 2. ICE- AND MIXED-PHASE CHEMISTRY 2.1 Gas-Solid Transfer Gas-phase chemical species can diffuse
Stuart, Amy L.
Industrial Decision Making
-05-30 Proceedings from the Thirtieth Industrial Energy Technology Conference, New Orleans, LA, May 6-9, 2008. Figure 1. Average Monthly Industrial Energy Prices (2) - 5 10 15 20 25 J an- 0 0 Ju l -0 0 Ja n- 0 1 Ju l -0 1 Ja n - 02 Ju l -0 2 Ja n - 0 3 Ju l - 0 3... Ja n - 0 4 J u l-04 Ja n - 0 5 Jul - 0 5 J an- 0 6 Jul - 0 6 Ja n- 07 Jul - 0 7 Ener gy Pr ic e ($ /MB t u) Electricity Fuel Oil Natural Gas Coal External market forces also drive industrial investment cycles. In the organic chemical...
Elliott, R. N.; McKinney, V.; Shipley, A.
Industrial Energy Management: Doing More with Less
during the course of business � with energy-intensive operations such as aluminum and chemical processing plants experiencing energy costs between five and 10 times higher than industry averages (Source: Department of Energy, Office of Industrial... INDUSTRIAL ENERGY MANAGEMENT: DOING MORE WITH LESS Jason Sheppard, Industrial Market Segment Manager Anthony Tisot, Communications Manager Power Monitoring and Control SCHNEIDER ELECTRIC Victoria, BC, Canada ABSTRACT The cost of doing...
Sheppard, J.; Tisot, A.
COGENERATION IN CANADA Prepared for: OFFICE OF ENERGY EFFICIENCY NATURAL RESOURCES CANADA Prepared by: NIC technology decision. A survey of 259 industrial firms in Canada was administered in 2002 and a discrete
The influence of strange quarks on QCD phase diagram and chemical freeze-out: Results from the hadron resonance gas model
We confront the lattice results on QCD phase diagram for two and three flavors with the hadron resonance gas model. Taking into account the truncations in the Taylor-expansion of energy density $\\epsilon$ done on the lattice at finite chemical potential $\\mu$, we find that the hadron resonance gas model under the condition of constant $\\epsilon$ describes very well the lattice phase diagram. We also calculate the chemical freeze-out curve according to the entropy density $s$. The $s$-values are taken from lattice QCD simulations with two and three flavors. We find that this condition is excellent in reproducing the experimentally estimated parameters of the chemical freeze-out.
A. Tawfik
A phenomenological approach to modeling chemical dynamics in nonlinear and two-dimensional spectroscopy
We present an approach for calculating nonlinear spectroscopic observables, which overcomes the approximations inherent to current phenomenological models without requiring the computational cost of performing molecular ...
Ramasesha, Krupa
Computational Model of Forward and Opposed Smoldering Combustion with Improved Chemical Kinetics (PhD. Thesis)
fixed beds of oil shale grains: governing parameters and global regimes, Combustionfixed beds of oil shale grains. A three-dimensional microscale numerical model, Combustion
Rein, Guillermo
ITP Chemicals: Industrial Feedstock Flexibility Workshop Results...
3323197.pdf Bioenergy Technologies Office Multi-Year Program Plan: May 2013 Update Roadmap for Bioenergy and Biobased Products in the United States Advanced Manufacturing Home...
a second key R&D focus area. Specific opportunities that the group recognized include oil shale in situ production, followed by stranded gas technology to liquefy it in situ, and...
Sanyo Chemical Industries | Open Energy Information
Open Energy Info (EERE)
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data CenterFranconia, Virginia:FAQ < RAPID Jump to: navigation, searchVirginiaRooseveltVISanton GmbH Jump to: navigation, search
On modeling of chemical stimulation of an enhanced geothermal system using a high pH solution with chelating agent
Dissolution of silica and calcite in the presence of a chelating agent (NTA) at a high pH was successfully demonstrated in laboratory experiments using a high-temperature flow reactor. (Note that the term 'silica' used here includes amorphous silica, quartz, and silicate glass bead). The mineral dissolution and associated porosity enhancement in the experiments were reproduced by reactive transport modeling using TOUGHREACT. The chemical stimulation method was applied by numerical modeling to a field geothermal injection well system to investigate its effectiveness. Parameters applicable to the quartz monzodiorite unit at the Enhanced Geothermal Systems (EGS) site at Desert Peak (Nevada) were used. Results indicate that the injection of a high pH chelating solution results in dissolution of both calcite and plagioclase, while avoiding precipitation of calcite at high temperature conditions. Consequently reservoir porosity and permeability can be enhanced especially near the injection well. Injection at a lower temperature of 120 C (over 160 C in the base-case) results in a porosity increase that is smaller close to the injection point, but extends to a larger radial distance. A slower kinetic rate results in less aggressive mineral dissolution close to the injection point and larger extent along the flow path, which is favorable for chemical stimulation.
Xu, T.; Rose, P.; Fayer, S.; Pruess, K.
A Chemical Kinetic Modeling Study of the Effects of Oxygenated Hydrocarbons on Soot Emissions from Diesel Engines
A detailed chemical kinetic modeling approach is used to examine the phenomenon of suppression of sooting in diesel engines by addition of oxygenated hydrocarbon species to the fuel. This suppression, which has been observed experimentally for a few years, is explained kinetically as a reduction in concentrations of soot precursors present in the hot products of a fuel-rich diesel ignition zone when oxygenates are included. Oxygenates decrease the overall equivalence ratio of the igniting mixture, producing higher ignition temperatures and more radical species to consume more soot precursor species, leading to lower soot production. The kinetic model is also used to show how different oxygenates, ester structures in particular, can have different soot-suppression efficiencies due to differences in molecular structure of the oxygenated species.
Westbrook, C K; Pitz, W J; Curran, H J
Project Profile: Predictive Physico-Chemical Modeling of Intrinsic Degradation Mechanisms for Advanced Reflector Materials
NREL, under the Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar (PREDICTS) Program will be developing a physics-based computational degradation model to assess the kinetic oxidation rates; realistic model light attenuation and transport; and multi-layer treatment with variable properties Simulation based experimental design.
of stress, temperature and activity of the corroding species (e.g. water). A power law degradation kinetics the degradation depends on the applied stress. Subcritical Crack Growth Model The reliability of silica optical fiber under stress is usually described by the subcritical crack growth model. It is assumed
Matthewson, M. John
How Soil Organic Matter Composition Controls Hexachlorobenzene-Soil-Interactions: Adsorption Isotherms and Quantum Chemical Modelling
Hazardous persistent organic pollutants (POPs) interact in soil with the soil organic matter (SOM) but this interaction is insufficiently understood at the molecular level. We investigated the adsorption of hexachlorobenzene (HCB) on soil samples with systematically modified SOM. These samples included the original soil, the soil modified by adding a hot water extract (HWE) fraction (soil+3 HWE and soil+6 HWE), and the pyrolyzed soil. The SOM contents increased in the order pyrolyzed soil soil soil+3 HWE soil+6 HWE. For the latter three samples this order was also valid for the HCB adsorption. The pyrolyzed soil adsorbed more HCB than the other samples at low initial concentrations, but at higher concentrations the HCB adsorption became weaker than in the samples with HWE addition. This adsorption behaviour combined with the differences in the chemical composition between the soil samples suggested that alkylated aromatic, phenol, and lignin monomer compounds contributed most to the HC...
Ahmed, Ashour; K�hn, Oliver
ITP Chemicals: Chemical Industry of the Future: New Biocatalysts: Essential
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:YearRound-UpHeatMulti-Dimensionalthe U.S. Department ofIOWA1999) | Department ofWorld
Advanced Mechanical Heat Pump Technologies for Industrial Applications
, advanced chemical and mechanical heat pump technologies are being developed for industrial application. Determining which technologies are appropriate for particular industrial applications and then developing those technologies is a stepped process which...
Mills, J. I.; Chappell, R. N.
Detailed chemical kinetic models for large n-alkanes and iso-alkanes found in conventional and F-T diesel fuels
Detailed chemical kinetic models are needed to simulate the combustion of current and future transportation fuels. These models should represent the various chemical classes in these fuels. Conventional diesel fuels are composed of n-alkanes, iso-alkanes, cycloalkanes and aromatics (Farrell et al. 2007). For future fuels, there is a renewed interest in Fischer-Tropsch (F-T) processes which can be used to synthesize diesel and other transportation fuels from biomass, coal and natural gas. F-T diesel fuels are expected to be similar to F-T jet fuels which are commonly comprised of iso-alkanes with some n-alkanes (Smith and Bruno, 2008). Thus, n-alkanes and iso-alkanes are common chemical classes in these conventional and future fuels. This paper reports on the development of chemical kinetic models of large n-alkanes and iso-alkanes to represent these chemical classes in conventional and future fuels. Two large iso-alkanes are 2,2,4,4,6,8,8-heptamethylnonane, which is a primary reference fuel for diesel, and isooctane, a primary reference fuel for gasoline. Other iso-alkanes are branched alkanes with a single methyl side chain, typical of most F-T fuels. The chemical kinetic models are then used to predict the effect of these fuel components on ignition characteristics under conditions found in internal combustion engines.
Westbrook, C K; Pitz, W J; Curran, H J; Mehl, M
Development of an Energy Consumption Model at a Multi-Product Chemical Plant
Carlo technique. In some units, energy consumption does not correlate with production rate, which indicates that energy savings may be possible through better control of energy usage. The model should also lay the framework for an on-line energy...
Wyhs, N. A.; Logsdon, J. E.
Coupled modeling of groundwater flow solute transport, chemical reactions and microbial processes in the 'SP' island
The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behavior and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by /Banwart et al, 1995/. Later, /Banwart et al, 1999/ presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by /Molinero, 2000/ who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulfate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of /Molinero, 2000/ and extends the preliminary microbial model of /Zhang, 2001/ by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfate concentration, thus adding additional evidence for the possibility of organic matter oxidation as the main source of bicarbonate. Model results indicate that pH and Eh are relatively stable. The dissolution-precipitation trends of hematite, pyrite and calcite also coincide with those indicated by the conceptual model. A thorough sensitivity analysis has been performed for the most relevant microbial parameters as well as for initial and boundary POC and DOC concentrations. The results of such analysis indicate that computed concentrations of bicarbonate, sulfate and DOC are sensitive to most of the microbial parameters, including specific growth rates, half-saturation constants, proportionality coefficients and yield coefficients. Model results, however, are less sensitive to the yield coefficient of DOC to iron-reducer bacteria. The sensitivity analysis indicates that changes in fermentation microbial parameters affect the growth of the iron-reducer, thus confirming the interconnection of both microbial processes. Computed concentrations of bicarbonate and sulfate are found to be sensitive to changes in the initial concentration of POC and the boundary concentration of DOC, but they lack sensitivity to the initial concentration of DOC and the boundary concentration of POC. The explanation for such result is related to the fact that POC has a low mobility due to its large molecular weight. DOC, however, can migrate downwards. Although a coupled hydro-bio-geochemical 1-D model can reproduce the observed ''unexpected'' increase of concentrations of bicarbonate and sulfate at a depth of 70 m, further modeling work is required in order to obtain a similar conclusion under the more realistic two dimensional conditions of the fracture zone.
Samper, Javier; Molinero, Jorg; Changbing, Yang; Zhang, Guoxiang
Modeling foreign economic policy in strategic setting: the automotive industry of the U.S. and Japan
. For this study, I examined a specific case study in which the U.S. was in a dispute with a foreign country and how the U.S. dealt with the situation. This particular dispute spans a timeline of 15 years and involves the automotive industry of Japan and the U...
Au-Young, Marie Lily
Industrial Carbon Management Initiative (ICMI)
heat in a combustion process while producing a concentrated CO 2 stream to facilitate carbon capture. Chemical looping research efforts can be categorized as: modeling tool...
Modelling of two phase flow and application in industries CR/ARH | 20/12/2007 | Robert Bosch GmbH 2007. All rights reserved, also regarding any disposal, exploitation, reproduction, editing,
for industrial property rights. Modelling of cavitating flow Control volume liquid Steam and air bubbles Volume, editing, distribution, as well as in the event of applications for industrial property rights. Surface tension Mechanical equilibrium Pressure inside the bubble leads to delay of evaporation and condensation
Helluy, Philippe
E-Print Network 3.0 - australian sugar industry Sample Search...
The Royal Australian Chemical... Graduates of Macquarie University Biotechnology industry Pharmaceutical ... Source: Williamson, Jane - Department of Biological...
Chemically authentic surrogate mixture model for the thermophysical properties of a coal-derived liquid fuel
We developed a surrogate mixture model to represent the physical properties of a coal-derived liquid fuel using only information obtained from a gas chromatography-mass spectrometry analysis of the fuel and a recently developed 'advanced distillation curve'. We then predicted the density, speed of sound, and viscosity of the fuel and compared them to limited experimental data. The surrogate contains five components (n-propylcyclohexane, trans-decalin, {alpha}-methyldecalin, bicyclohexane, and n-hexadecane), yet comparisons to limited experimental data demonstrate that the model is able to represent the density, sound speed, and viscosity to within 1, 4, and 5%, respectively. 102 refs., 2 figs., 5 tabs.
M.L. Huber; E.W. Lemmon; V. Diky; B.L. Smith; T.J. Bruno [National Institute of Standards and Technology (NIST), Boulder, CO (United States). Physical and Chemical Properties Division
Development of Chemical Kinetic Models for Lean NOx Traps | Department of
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Fast Prediction of HCCI and PCCI Combustion with an Artificial Neural Network-Based Chemical Kinetic Model
We have added the capability to look at in-cylinder fuel distributions using a previously developed ignition model within a fluid mechanics code (KIVA3V) that uses an artificial neural network (ANN) to predict ignition (The combined code: KIVA3V-ANN). KIVA3V-ANN was originally developed and validated for analysis of Homogeneous Charge Compression Ignition (HCCI) combustion, but it is also applicable to the more difficult problem of Premixed Charge Compression Ignition (PCCI) combustion. PCCI combustion refers to cases where combustion occurs as a nonmixing controlled, chemical kinetics dominated, autoignition process, where the fuel, air, and residual gas mixtures are not necessarily as homogeneous as in HCCI combustion. This paper analyzes the effects of introducing charge non-uniformity into a KIVA3V-ANN simulation. The results are compared to experimental results, as well as simulation results using a more physically representative and computationally intensive code (KIVA3V-MPI-MZ), which links a fluid mechanics code to a multi-zone detailed chemical kinetics solver. The results indicate that KIVA3V-ANN produces reasonable approximations to the more accurate KIVA3V-MPI-MZ at a much reduced computational cost.
Piggott, W T; Aceves, S M; Flowers, D L; Chen, J Y
Department of Chemical and Petroleum Engineering
Real World Process from Inception to Pre-construction Apply Concepts Learned in Class to Industrial Quality and Air Pollution Control Chemical Engineering Energy & Env. Specialization #12;CHEMICAL World-Class Industry Oil and Gas Exploration & Recovery Heavy Oil & Bitumen Natural Gas, Coal Bed
Habib, Ayman
Platform Chemicals from an Oilseed Biorefinery
The US chemical industry is $460 billion in size where a $150 billion segment of which is non-oxygenated chemicals that is sourced today via petroleum but is addressable by a renewable feedstock if one considers a more chemically reduced feedstock such as vegetable oils. Vegetable oil, due to its chemical functionality, provides a largely untapped opportunity as a renewable chemical source to replace petroleum-derived chemicals and produce platform chemicals unavailable today. This project examined the fertile intersection between the rich building blocks provided by vegetable oils and the enhanced chemical modification capability provided by metathesis chemistry. The technology advanced in this study is the process of ethylene cross-metathesis (referred to as ethenolysis) with vegetable oil and vegetable oil derivatives to manufacture the platform-chemical 9-decenoic acid (or 9DA) and olefin co-products. The project team meet its goals of demonstrating improved catalyst efficiencies of several multiples, deepening the mechanistic understanding of metathesis, synthesis and screening of dozens of new catalysts, designing and modeling commercial processes, and estimating production costs. One demonstrable result of the study was a step change improvement in catalyst turnover number in the ethenolysis of methyl oleate as reported here. We met our key measurable of producing 100 lbs of 9DA at the pilot-scale, which demonstrated ability to scale-up ethenolysis. DOE Project funding had significant positive impact on development of metathetically modified vegetable oils more broadly as the Cargill/Materia partnership, that was able to initiate primarily due to DOE funding, has succeeded in commercializing products, validating metathesis as a platform technology, and expanding a diverse products portfolio in high value and in large volume markets. Opportunities have expanded and business development has gained considerable momentum and enabled further expansion of the Materia/Cargill relationship. This project exceeded expectations and is having immediate impact on DOE success by replacing petroleum products with renewables in a large volume application today.
Tupy, Mike; Schrodi Yann
Industrial Low Temperature Waste Heat Utilization
In this paper, some common and emerging techniques to better utilize energy in the chemical process industries are discussed. Temperature levels of waste heat available are pointed out. Emerging practices for further economical utilization of waste...
Altin, M.
Industrial Heat Pumps: Where and When
pump analysis. INDUSTRIAL HEAT PUMPS: WHAT NEXT? There is definitely a need to develop heat pump systems with higher delivery temperatures. Chemical heat pumps (based on two-step endothermic/exothermic reactions) seem promising in this regard...
Ranade, S. M.; Chao, Y. T.
An experimental and detailed chemical kinetic modelling study of 2methyl furan oxidation
Glaudeb , Henry J. Currana a Combustion Chemistry Centre, School of Chemistry, NUI Galway, Ireland speed, ignition delay time, kinetic modelling, biofuel. * address: Combustion Chemistry Centre ethanol by some 40%, rivaling that of gasoline, with its higher boiling point (366 K) and lower aqueous
Detailed Chemical Kinetic Modeling of Iso-octane SI-HCCI Transition
We describe a CHEMKIN-based multi-zone model that simulates the expected combustion variations in a single-cylinder engine fueled with iso-octane as the engine transitions from spark-ignited (SI) combustion to homogenous charge compression ignition (HCCI) combustion. The model includes a 63-species reaction mechanism and mass and energy balances for the cylinder and the exhaust flow. For this study we assumed that the SI-to-HCCI transition is implemented by means of increasing the internal exhaust gas recirculation (EGR) at constant engine speed. This transition scenario is consistent with that implemented in previously reported experimental measurements on an experimental engine equipped with variable valve actuation. We find that the model captures many of the important experimental trends, including stable SI combustion at low EGR (-0.10), a transition to highly unstable combustion at intermediate EGR, and finally stable HCCI combustion at very high EGR (-0.75). Remaining differences between the predicted and experimental instability patterns indicate that there is further room for model improvement.
Havstad, Mark A [Lawrence Livermore National Laboratory (LLNL); Aceves, Salvador M [Lawrence Livermore National Laboratory (LLNL); McNenly, Matthew J [Lawrence Livermore National Laboratory (LLNL); Piggott, William T [Lawrence Livermore National Laboratory (LLNL); Edwards, Kevin Dean [ORNL; Wagner, Robert M [ORNL; Daw, C Stuart [ORNL; FINNEY, Charles E A [ORNL
Development of Advanced Thermal-Hydrological-Mechanical-Chemical (THMC) Modeling Capabilities for Enhanced Geothermal Systems
Project objectives: Develop a general framework for effective flow of water, steam and heat in in porous and fractured geothermal formations. Develop a computational module for handling coupled effects of pressure, temperature, and induced rock deformations. Develop a reliable model of heat transfer and fluid flow in fractured rocks.
Modeling particle formation during low-pressure silane oxidation: Detailed chemical kinetics and aerosol dynamics
that the generation of SiOHx species from fast gas- phase reactions can significantly degrade film quality. Based conservation equations and a moment-type aerosol dynamics model were formulated for a batch reactor undergoing to impurity diffusion.1 During LPCVD film deposition rates are limited by the gas-phase nucleation
Zachariah, Michael R.
Chemical Enrichment at High Redshifts Understanding the Nature of Damped Ly$\\alpha$ Systems in Hierarchical Models
We use cosmological hydrodynamical simulations including star formation and metal enrichment to study the evolution of the chemical properties of galaxy-like objects at high redshift in the range $0.25Hydrogen column densities with abundances and scatter comparable to those observed in damped Lyman-$\\alpha$ systems (DLAs).The unweighted mean of abundance ratios and least square linear regressions through the simulated DLAs yield intrinsic metallicity evolution for the [Zn/H] and [Fe/H], consistent with results obtained from similar analysis of available observations. Our model statistically reproduces the mild evolution detected in the metallicity of the neutral hydrogen content of the Universe, given by mass-weighted means,if observational constraints are considered (as suggested by Boiss\\'ee et al. 1998). For the $\\alpha$-elements in the simulated DLAs, we find n...
Tissera, P B; Cora, S A
Technology transfer in the petrochemical industry
The paper deals with the development of the Japanese petrochemical industry from the 1950s through the 1960s solely from the standpoint of the process of technology transplantation. The Japanese petrochemical industry in this period is interesting as it relates to technology transfer to Japan because: (1) It was an industry at the core of the heavy and chemical industries, which were an important pillar of Japan's industrial policy; (2) It was a new technical field with no past history; and (3) Unraveling of technology was successfully pursued, with the result that Japan became a petrochemical technology-exporting country in the 1960s.
Tanaka, M.
We simulate the chemistry of infrared dark clouds (IRDCs) with a model in which the physical conditions are homogeneous and time independent. The chemistry is solved as a function of time with three networks: one purely gas phase, one that includes accretion and desorption, and one, the complete gas-grain network, that includes surface chemistry in addition. We compare our results with observed molecular abundances for two representative IRDCs-IRDC013.90-1 and IRDC321.73-1-using the molecular species N{sub 2}H{sup +}, HC{sub 3}N, HNC, HCO{sup +}, HCN, C{sub 2}H, NH{sub 3}, and CS. IRDC013.90-1 is a cold IRDC, with a temperature below 20 K, while IRDC321.73-1 is somewhat warmer, in the range 20-30 K. We find that the complete gas-grain model fits the data very well, but that the goodness of fit is not sharply peaked at a particular temperature. Surface processes are important for the explanation of the high gas-phase abundance of N{sub 2}H{sup +} in IRDC321.73-1. The general success of the zero-dimensional model in reproducing single-dish observations of our limited sample of eight species shows that it is probably sufficient for an explanation of this type of data. To build and justify more complicated models, including spatial temperature and density structure, contraction, and heating, we require high-resolution interferometric data.
Vasyunina, T.; Vasyunin, A. I.; Herbst, Eric [Department of Chemistry, University of Virginia, Charlottesville, VA 22904 (United States); Linz, H. [Max Planck Institute for Astronomy (MPIA), Koenigstuhl 17, D-69117 Heidelberg (Germany)
Comprehensive chemical kinetic modeling of the oxidation of C8 and larger n-alkanes and 2-methylalkanes
Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed and reduced chemical kinetic mechanism for singly methylated iso-alkanes (i.e., 2-methylalkanes) ranging from C{sub 8} to C{sub 20}. The mechanism also includes an updated version of our previously published C{sub 8} to C{sub 16} n-alkanes model. The complete detailed mechanism contains approximately 7,200 species 31,400 reactions. The proposed model is validated against new experimental data from a variety of fundamental combustion devices including premixed and nonpremixed flames, perfectly stirred reactors and shock tubes. This new model is used to show how the presence of a methyl branch affects important combustion properties such as laminar flame propagation, ignition, and species formation.
Sarathy, S M; Westbrook, C K; Pitz, W J; Mehl, M; Togbe, C; Dagaut, P; Wang, H; Oehlschlaeger, M; NIemann, U; Seshadri, K; Veloo, P S; Ji, C; Egolfopoulos, F; Lu, T
Simulating the formation of massive seed black holes in the early Universe. I: An improved chemical model
The direct collapse model for the formation of massive seed black holes in the early Universe attempts to explain the observed number density of supermassive black holes (SMBHs) at $z \\sim 6$ by assuming that they grow from seeds with masses M > 10000 solar masses that form by the direct collapse of metal-free gas in atomic cooling halos in which H2 cooling is suppressed by a strong extragalactic radiation field. The viability of this model depends on the strength of the radiation field required to suppress H2 cooling, $J_{\\rm crit}$: if this is too large, then too few seeds will form to explain the observed number density of SMBHs. In order to determine $J_{\\rm crit}$ reliably, we need to be able to accurately model the formation and destruction of H2 in gas illuminated by an extremely strong radiation field. In this paper, we use a reaction-based reduction technique to analyze the chemistry of H2 in these conditions, allowing us to identify the key chemical reactions that are responsible for determining the...
Glover, Simon
Detailed Chemical Kinetic Modeling of Surrogate Fuels for Gasoline and Application to an HCCI Engine
Gasoline consists of many different classes of hydrocarbons, such as paraffins, olefins, aromatics, and cycloalkanes. In this study, a surrogate gasoline reaction mechanism is developed, and it has one representative fuel constituent from each of these classes. These selected constituents are iso-octane, n-heptane, 1-pentene, toluene, and methyl-cyclohexane. The mechanism was developed in a step-wise fashion, adding submechanisms to treat each fuel component. Reactions important for low temperature oxidation (<1000K) and cross-reactions among different fuels are incorporated into the mechanism. The mechanism consists of 1214 species and 5401 reactions. A single-zone engine model is used to evaluate how well the mechanism captures autoignition behavior for conditions corresponding to homogeneous charge compression ignition (HCCI) engine operation. Experimental data are available for both how the combustion phasing changes with fueling at a constant intake temperature, and also how the intake temperature has to be changed with pressure in order to maintain combustion phasing for a fixed equivalence ratio. Three different surrogate fuel mixtures are used for the modeling. Predictions are in reasonably good agreement with the engine data. In addition, the heat release rate is calculated and compared to the data from experiments. The model predicts less low-temperature heat release than that measured. It is found that the low temperature heat-release rate depends strongly on engine speed, reactions of RO{sub 2}+HO{sub 2}, fuel composition, and pressure boost.
Naik, C V; Pitz, W J; Sj?berg, M; Dec, J E; Orme, J; Curran, H J; Simmie, J M; Westbrook, C K
"Nanotechnology Enabled Advanced Industrial Heat Transfer Fluids"
ABSTRACT Nanotechnology Enabled Advanced industrial Heat Transfer Fluids� Improving the efficiency of Industrial Heat Exchangers offers a great opportunity to improve overall process efficiencies in diverse industries such as pharmaceutical, materials manufacturing and food processing. The higher efficiencies can come in part from improved heat transfer during both cooling and heating of the material being processed. Additionally, there is great interest in enhancing the performance and reducing the weight of heat exchangers used in automotives in order to increase fuel efficiency. The goal of the Phase I program was to develop nanoparticle containing heat transfer fluids (e.g., antifreeze, water, silicone and hydrocarbon-based oils) that are used in transportation and in the chemical industry for heating, cooling and recovering waste heat. Much work has been done to date at investigating the potential use of nanoparticle-enhanced thermal fluids to improve heat transfer in heat exchangers. In most cases the effect in a commercial heat transfer fluid has been marginal at best. In the Phase I work, we demonstrated that the thermal conductivity, and hence heat transfer, of a fluid containing nanoparticles can be dramatically increased when subjected to an external influence. The increase in thermal conductivity was significantly larger than what is predicted by commonly used thermal models for two-phase materials. Additionally, the surface of the nanoparticles was engineered so as to have a minimal influence on the viscosity of the fluid. As a result, a nanoparticle-laden fluid was successfully developed that can lead to enhanced heat transfer in both industrial and automotive heat exchangers
Dr. Ganesh Skandan; Dr. Amit Singhal; Mr. Kenneth Eberts; Mr. Damian Sobrevilla; Prof. Jerry Shan; Stephen Tse; Toby Rossmann
Chemical Management
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Devices for collecting chemical compounds
A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.
Scott, Jill R; Groenewold, Gary S
Cyclical dynamics of airline industry earnings
Aggregate airline industry earnings have exhibited large-amplitude cyclical behavior since deregulation in 1978. To explore the causes of these cycles we develop a behavioral dynamic model of the airline industry with ...
Pierson, Kawika
Appendix F. Chemicals Annual Site Environmental Report--2011
, pesticides, and industrial chemicals. Through the use of chemicals, we can increase food production, cure are exposed to chemicals by inhalation (breathing air), ingestion (eating exposed plants and animalsAppendix F. Chemicals #12;#12;Annual Site Environmental Report--2011 Appendix F. Chemicals F-3
Pennycook, Steve
University at Buffalo (SUNY) Department of Industrial Engineering Scheduling Theory
University at Buffalo (SUNY) Department of Industrial Engineering IE 661 Scheduling Theory Chapter 2 Rakesh Nagi Department of Industrial Engineering University at Buffalo (SUNY) #12;University at Buffalo (SUNY) Department of Industrial Engineering Chapter 2: Deterministic Models Preliminaries
Nagi, Rakesh
Industrial Users
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Industry Economists
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Industry @ ALS
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Region service area.Portaldefault Sign In AboutIn theIndustry @ ALS
Biomonitoring for the photovoltaics industry
Biomonitoring often is used as a method for estimating the dose to an individual. Therefore, a parameter of measurement, or biomarkers must be identified. The purpose of this paper is to give an overview of biomonitoring protocols for metals used in the photovoltaics industry. Special attention is given to areas that often are skimmed over, to gain insights into some of the problems that may arise when these tasks are carried out. Biological monitoring can be used to determine current human exposures to chemicals, as well as to detect past exposures, and the effects that these exposures may have on human health. It is used in conjunction with environmental monitoring to describe more completely worker`s exposures to, and absorption of, chemicals in the workplace. Biological specimens (e.g., blood, hair or urine) are analyzed for chemical agents, metabolites, or for some specific effect on the person (Lowry 1994). Biomonitoring can assess a workers exposure to industrial chemicals by all routes including skin absorption and ingestion. Although the methodology still is in its infancy, in cases where the procedures have been developed, it can be an invaluable component of an ongoing program of industrial hygiene monitoring. Like any technology, there are limitations to its effectiveness because of a lack of knowledge, contamination of specimens, and the introduction of errors.
Bernholc, N.M.; Moskowitz, P.D.
Industrial ecology Prosperity Game{trademark}
Industrial ecology (IE) is an emerging scientific field that views industrial activities and the environment as an interactive whole. The IE approach simultaneously optimizes activities with respect to cost, performance, and environmental impact. Industrial Ecology provides a dynamic systems-based framework that enables management of human activity on a sustainable basis by: minimizing energy and materials usage; insuring acceptable quality of life for people; minimizing the ecological impact of human activity to levels that natural systems can sustain; and maintaining the economic viability of systems for industry, trade and commerce. Industrial ecology applies systems science to industrial systems, defining the system boundary to incorporate the natural world. Its overall goal is to optimize industrial activities within the constraints imposed by ecological viability, globally and locally. In this context, Industrial systems applies not just to private sector manufacturing and services but also to government operations, including provision of infrastructure. Sandia conducted its seventeenth Prosperity Game{trademark} on May 23--25, 1997, at the Hyatt Dulles Hotel in Herndon, Virginia. The primary sponsors of the event were Sandia National Laboratories and Los Alamos National Laboratory, who were interested in using the format of a Prosperity Game to address some of the issues surrounding Industrial Ecology. Honorary game sponsors were: The National Science Foundation; the Committee on Environmental Improvement, American Chemical Society; the Industrial and Engineering Chemistry Division, American Chemical Society; the US EPA--The Smart Growth Network, Office of Policy Development; and the US DOE-Center of Excellence for Sustainable Development.
Beck, D.; Boyack, K.; Berman, M.
Comparing the Effects of Mutualism and Competition on Industrial Districts
refining, chemical and bio-chemical produc- tion facilities, as well as heavy industrial facilities the industrial economy of the Humber region. Obviously such an intricate network of relationships is not unique to the Humber region. In fact, any economy which has a regional component could be represented by a complicated
Hoyle, Rebecca B.
Applications of contaminant fate and bioaccumulation models in assessing ecological risks of chemicals: A case study for gasoline hydrocarbons
the composition of the gasoline inventory, and can beand exposure assessment for gasoline; Trent University:of Chemicals: A Case Study for Gasoline Hydrocarbons Matthew
MacLeod, Matthew; McKone, Thomas E.; Foster, Karen L.; Maddalena, Randy L.; Parkerton, Thomas F.; Mackay, Don
Development of Bottom-up Representation of Industrial Energy Efficiency Technologies in Integrated Assessment Models for the Iron and Steel Sector
Adoption of efficient end-use technologies is one of the key measures for reducing greenhouse gas (GHG) emissions. With the working of energy programs and policies on carbon regulation, how to effectively analyze and manage the costs associated with GHG reductions become extremely important for the industry and policy makers around the world. Energy-climate (EC) models are often used for analyzing the costs of reducing GHG emissions (e.g., carbon emission) for various emission-reduction measures, because an accurate estimation of these costs is critical for identifying and choosing optimal emission reduction measures, and for developing related policy options to accelerate market adoption and technology implementation. However, accuracies of assessing of GHG-emission reduction costs by taking into account the adoption of energy efficiency technologies will depend on how well these end-use technologies are represented in integrated assessment models (IAM) and other energy-climate models. In this report, we first conduct brief overview on different representations of end-use technologies (mitigation measures) in various energy-climate models, followed by problem statements, and a description of the basic concepts of quantifying the cost of conserved energy including integrating non-regrets options. A non-regrets option is defined as a GHG reduction option that is cost effective, without considering their additional benefits related to reducing GHG emissions. Based upon these, we develop information on costs of mitigation measures and technological change. These serve as the basis for collating the data on energy savings and costs for their future use in integrated assessment models. In addition to descriptions of the iron and steel making processes, and the mitigation measures identified in this study, the report includes tabulated databases on costs of measure implementation, energy savings, carbon-emission reduction, and lifetimes. The cost curve data on mitigation measures are available over time, which allows an estimation of technological change over a decade-long historical period. In particular, the report will describe new treatment of technological change in energy-climate modeling for this industry sector, i.e., assessing the changes in costs and energy-savings potentials via comparing 1994 and 2002 conservation supply curves. In this study, we compared the same set of mitigation measures for both 1994 and 2002 -- no additional mitigation measure for year 2002 was included due to unavailability of such data. Therefore, the estimated potentials in total energy savings and carbon reduction would most likely be more conservative for year 2002 in this study. Based upon the cost curves, the rate of change in the savings potential at a given cost can be evaluated and be used to estimate future rates of change that can be the input for energy-climate models. Through characterizing energy-efficiency technology costs and improvement potentials, we have developed and presented energy cost curves for energy efficiency measures applicable to the U.S. iron and steel industry for the years 1994 and 2002. The cost curves can change significantly under various scenarios: the baseline year, discount rate, energy intensity, production, industry structure (e.g., integrated versus secondary steel making and number of plants), efficiency (or mitigation) measures, share of iron and steel production to which the individual measures can be applied, and inclusion of other non-energy benefits. Inclusion of other non-energy benefits from implementing mitigation measures can reduce the costs of conserved energy significantly. In addition, costs of conserved energy (CCE) for individual mitigation measures increase with the increases in discount rates, resulting in a general increase in total cost of mitigation measures for implementation and operation with a higher discount rate. In 1994, integrated steel mills in the U.S. produced 55.
Xu, T.T.; Sathaye, J.; Galitsky, C.
Chemical reactions of UF{sub 6} with water on ingress to damaged model 48X 10 ton cylinder
Chemistry studies of the effects of water flooding in Model 48X 10-ton UF{sub 6} storage cylinders, as a result of impact fractures, were conducted to support the Safety Analysis Report for Packaging (SARP) review of the Paducah Tiger Overpack for transportation of those cylinders. The objectives of the study were to determine the maximum amount of water that could be admitted to the interior of such a damaged cylinder, the resulting geometries and chemical compositions from reactions of water with the UF{sub 6} contents of the cylinder, and the end-state water moderated and reflected configurations for input to nuclear criticality safety analyses. The case identified for analysis was the flooding of the inside of a cylinder, submerged horizontally in 3 ft of water. The flooding was driven by an initial pressure drop of 13 psig, through an assumed fracture (1/32 in. wide {times} 1/2 in. deep {times} 18 in. long) in the barrel of the cylinder. During the initial addition of water, transient back pressures occur from the effects of the heats of reaction and solution at the water/UF{sub 6} interface, with some chugging as more water is added to alternately coot the reaction surface and then heat it again as the added water reacts with more UF{sub 6}.
Rothman, A.B.
A comparative evaluation of conceptual models for the Snake River Plain aquifer at the Idaho Chemical Processing Plant, INEL
Geologic and hydrologic data collected by the United States Geological Survey (USGS) are used to evaluate the existing ground water monitoring well network completed in the upper portion of the Snake River Plain aquifer (SRPA) beneath the Idaho Chemical Processing Plant (ICPP). The USGS data analyzed and compared in this study include: (a) lithologic, geophysical, and stratigraphic information, including the conceptual geologic models intrawell, ground water flow measurement (Tracejector tests) and (c) dedicated, submersible, sampling group elevations. Qualitative evaluation of these data indicate that the upper portion of the SRPA is both heterogeneous and anisotropic at the scale of the ICPP monitoring well network. Tracejector test results indicate that the hydraulic interconnection and spatial configuration of water-producing zones is extremely complex within the upper portion of the SRPA. The majority of ICPP monitoring wells currently are equipped to sample ground water only the upper lithostratigraphic intervals of the SRPA, primarily basalt flow groups E, EF, and F. Depth-specific hydrogeochemical sampling and analysis are necessary to determine if ground water quality varies significantly between the various lithostratigraphic units adjacent to individual sampling pumps.
Prahl, C.J.
3426 IEEE TRANSACTIONS ON INDUSTRIAL ELECTRONICS, VOL. 55, NO. 9, SEPTEMBER 2008 Modeling and Control of the Yaw Channel
the modeling and flight- control-system design for the yaw channel of an unmanned- aerial-vehicle (UAV and Control of the Yaw Channel of a UAV Helicopter Guowei Cai, Student Member, IEEE, Ben M. Chen, Fellow, IEEE found that the commonly used yaw dynamical model for the UAV helicopter proposed in the literature
Benmei, Chen
Mechanical & Industrial Engineering
Mechanical & Industrial Engineering 1 Welcome MIE Industrial Advisory Board October 15, 2010 #12;Mechanical & Industrial Engineering 2 MIE Dorothy Adams Undergraduate/Graduate Secretary David Schmidt Associate Professor & Graduate Program Director #12;Mechanical & Industrial Engineering 3 MIE James Rinderle
Mountziaris, T. J.
Influence of gas composition on wafer temperature in a tungsten chemical vapor deposition reactor: Experimental measurements, model
Influence of gas composition on wafer temperature in a tungsten chemical vapor deposition reactor-wafer, lamp-heated chemical vapor deposition system were used to study the wafer temperature response to gas composition. A physically based simulation procedure for the process gas and wafer temperature was developed
Rubloff, Gary W.
Engineering Industrial & Systems
Industrial Engineering Department of Industrial & Systems Engineering Leslie Monplaisir, Ph powerful tool sets used in industry today. -Brent Gillett, BSIE 2007 Advanced Planning Engineer at BMW I is available at: http://ise.wayne.edu/bs-industrial/index What is Industrial Engineering? The industrial
Berdichevsky, Victor
A comparative study of Lotka-Volterra and system dynamics models for simulation of technology industry dynamics
Scholars have developed a range of qualitative and quantitative models for generalizing the dynamics of technological innovation and identifying patterns of competition between rivals. This thesis compares two predominant ...
�nver, Hakk? �zg�r
developers also market �fuzzy logic� control systems, e.g. ,so- called 'fuzzy logic' or expert control, or rule-basedsystems or fuzzy logic is model-predictive control using
Sathaye, J.
INDUSTRIAL ENGINEERING Industrial engineering is concerned
INDUSTRIAL ENGINEERING Industrial engineering is concerned with looking at the "big picture" of systems that allow organizations and individuals to perform at their best. Industrial engineers bridge should be used and how they should be used. Industrial engineers design and run the factories and systems
INDUSTRIAL ENGINEERING Industrial engineering is concerned with looking at the "big picture" of systems that allow organizations and individuals to perform at their best. Industrial engineers bridge should be used and how they should be used. The focus of industrial engineering is on process improvement
analysis quantitative chemical: Topics by E-print Network
deals, including the following: ENERGY: Chemical engineers work in all aspects of the energy industry developing Firestone, Jeremy 6 Conservation biology Quantitative analysis...
Steam System Opportunity Assessment for the Pulp and Paper, Chemical...
System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries Steam System Opportunity Assessment for the Pulp and Paper,...
Carbon Emissions Reduction Potential in the US Chemicals and...
Carbon Emissions Reduction Potential in the US Chemicals and Pulp and Paper Industries by Applying CHP Technologies, June 1999 Carbon Emissions Reduction Potential in the US...
Scale-up of continuous chemical synthesis systems
Continuous flow systems for chemical synthesis have become increasingly important in the pharmaceutical and fine chemical industry in the past decade. Initially, this work was confined primarily to microfluidic systems, ...
Heider, Patrick Louis
776 IEEE TRANSACTIONS ON INDUSTRY APPLICATIONS, VOL. 34, NO. 4, JULY/AUGUST 1998 Switched Reluctance Motor Modeling with
Department, General Motors Research and Development Center, Warren, MI 48090 USA. I. Husain and M. E. Elbuluk Reluctance Motor Modeling with On-Line Parameter Identification Sayeed Mir, Member, IEEE, Iqbal Husain-line parameter estimation using recursive identification for switched reluctance motors (SRM's) is presented
Husain, Iqbal
IEEE TRANSACTIONS ON INDUSTRIAL ELECTRONICS, VOL. 55, NO. 4, APRIL 2008 1813 Models for Bearing Damage Detection in Induction
be supervised by measur- ing quantities such as noise, vibration, and temperature. The implementation Damage Detection in Induction Motors Using Stator Current Monitoring Martin Blödt, Member, IEEE, Pierre analytical model for the influence of rolling-element bearing faults on induction motor stator current
Implementing multi-step chemical kinetics models in opposed-flow flame spread over cellulose and a comparison to single-step chemistry
Multi-step, gas-phase chemical kinetics are introduced into flame spread modeling efforts. An unsteady multi-step, gas-phase kinetics model both with and without steady-state species assumptions, and including nonunit Lewis number, is compared with a model including a single, finite-rate gas-phase reaction, which has been the usual approach in flame spread modeling. Laminar diffusion flames over a thin fuel in an opposing O{sub 2}/N{sub 2} flow are considered with the solution in two-dimensional space of momentum, energy, and 12 gas-phase species. Results for the multi-step models show detailed flame structure in terms of species and heat release distributions throughout the flame and the role of chemical kinetics as a controlling mechanism in flame spread. Of particular interest is the potential of multi-step chemical kinetics in solutions at near-extinction limit conditions. While the incorporation of nonunit Le alone affords more detailed species transport, in high opposing flows it was found to give only minor structural differences form the single-step unit Le model. The multi-step chemistry allows for the gas kinetics to be self-adjusting to environmental conditions. As a result, the distribution of endothermicity and exothermicity throughout the flame and for particular reversible reactions is found to be a function of the flow environment, which overcomes a major drawback of single-step models, namely a fixed heat of combustion independent of environmental conditions, or one that must be determined separately from the model itself.
Wolverton, M.K.; Altenkirch, R.A.; Tang, L. [Mississippi State Univ., MS (United States)] [Mississippi State Univ., MS (United States)
Tools for chemical synthesis in microsystems
Chemical synthesis in microsystems has evolved from simple proof-of-principle examples to become a general technique in academia and industry. Numerous such �flow chemistry� applications are now found in pharmaceutical and ...
Jensen, Klavs F.
Chemical and Petroleum Engineering Petroleum Engineering Minor
Chemical and Petroleum Engineering Petroleum Engineering Minor Students their skills by taking a minor in petroleum engineering. Energy is the largest global industry at $3 trillion annually, and petroleum supplies 60 percent
Calgary, University of
Detailed Modeling of Industrial Energy Use and Greenhouse Gas Emissions in an Integrated Assessment Model of Long-term Global Change
in the manufacturing sector, about 26% is electricity, 58% is natural gas, 10% is coal (excluding coal coke and breeze) and the remainder is from liquid fuels. 1 AdaptedfromTableE6.4. EndUsesofFuelConsumption,1998(URL: ftp://ftp.eia.doe.gov/pub/consumption/industry/d98...FuelConsumptionbyEnd-UseforallMECSIndustries,1998,trillionBTU Electricity Liquid Fuels Natural Gas Coal (excluding Coal Cokeand Breeze) Total BoilerFuel 29 308 2,538 770 3,645 ProcessHeating 363 185 3,187 331 4,066 ProcessCoolingand Refrigeration 209 2 22 233 MachineDrive 1,881 25 99 7 2...
Sinha, P.; Wise, M.; Smith, S.
Thermodynamic Phase And Chemical Equilibrium At 0-110�C For The H+-K+-Na+-Cl--H2O System Up To 16 Molal And The HNO3-H2O System Up To 20 Molal Using An Association-Based Pitzer Model Compatible With ASPEN Plus
A status is presented of the parameterization during FY2003 of an association-based Pitzer model to simulate chemical and phase equilibria of acid-chloride-nitrate-mercury aqueous electrolyte systems at 0-100� C within the industry-standard process simulator, ASPEN Plus. Compatibility with ASPEN Plus requires that the Pitzer model used be limited to the third virial coefficient and have the values of b and a1 as originally proposed by Pitzer. Two aqueous models for 0-110� C at atmospheric pressure were parameterized in FY03. The model for the aqueous H+-K+-Na+-Cl- system is applicable for 0-16 molal, and the HNO3-H2O for 0-20 molal. An association-based Pitzer activity coefficient model is combined with Henry.s law to predict activity/osmotic coefficient and VLE. The chloride model also predicts KCl and NaCl solubility, while the nitric acid model has the unique capability of predicting extent of dissociation with an average absolute deviation of 1.43%. The association-based approach presented here extends the utility of the molality-based Pitzer model past 6 molal to predict activity/osmotic coefficients up to 16-20 molal. The association-based approach offers the additional benefits of predicting extent of dissociation and of allowing the Pitzer model to be fully utilized in commercial simulators, such as ASPEN Plus, that require accounting for association to implement Henry�s law. The Pitzer models presented here provide the chemical process simulation engineer with a superior alternative to the Electrolyte NRTL model that can easily be used in ASPEN Plus.
Todd T. Nichols; Dean D. Taylor
Thermodynamic Phase And Chemical Equilibrium At 0-110 C For The H+-K+-Na+-Cl--H2O System Up To 16 Molal And The HNO3-H2O System Up To 20 Molal Using An Association-Based Pitzer Model Compatible With ASPEN Plus
A status is presented of the parameterization during FY2003 of an association-based Pitzer model to simulate chemical and phase equilibria of acid-chloride-nitrate-mercury aqueous electrolyte systems at 0-100 C within the industry-standard process simulator, ASPEN Plus. Compatibility with ASPEN Plus requires that the Pitzer model used be limited to the third virial coefficient and have the values of b and a1 as originally proposed by Pitzer. Two aqueous models for 0-110 C at atmospheric pressure were parameterized in FY03. The model for the aqueous H+-K+-Na+-Cl- system is applicable for 0-16 molal, and the HNO3-H2O for 0-20 molal. An association-based Pitzer activity coefficient model is combined with Henry's law to predict activity/osmotic coefficient and VLE. The chloride model also predicts KCl and NaCl solubility, while the nitric acid model has the unique capability of predicting extent of dissociation with an average absolute deviation of 1.43%. The association-based approach presented here extends the utility of the molality-based Pitzer model past 6 molal to predict activity/osmotic coefficients up to 16-20 molal. The association-based approach offers the additional benefits of predicting extent of dissociation and of allowing the Pitzer model to be fully utilized in commercial simulators, such as ASPEN Plus, that require accounting for association to implement Henry's law. The Pitzer models presented here provide the chemical process simulation engineer with a superior alternative to the Electrolyte NRTL model that can easily be used in ASPEN Plus.
Nichols,T.T.; Taylor,D.D.
China's industrial sector in an international context
The industrial sector accounts for 40% of global energy use. In 1995, developing countries used an estimated 48 EJ for industrial production, over one-third of world total industrial primary energy use (Price et al., 1998). Industrial output and energy use in developing countries is dominated by China, India, and Brazil. China alone accounts for about 30 EJ (National Bureau of Statistics, 1999), or about 23% of world industrial energy use. China's industrial sector is extremely energy-intensive and accounted for almost 75% of the country's total energy use in 1997. Industrial energy use in China grew an average of 6.6% per year, from 14 EJ in 1985 to 30 EJ in 1997 (Sinton et al., 1996; National Bureau of Statistics, 1999). This growth is more than three times faster than the average growth that took place in the world during the past two decades. The industrial sector can be divided into light and heavy industry, reflecting the relative energy-intensity of the manufacturing processes. In China, about 80% of the energy used in the industrial sector is consumed by heavy industry. Of this, the largest energy-consuming industries are chemicals, ferrous metals, and building materials (Sinton et al., 1996). This paper presents the results of international comparisons of production levels and energy use in six energy-intensive subsectors: iron and steel, aluminum, cement, petroleum refining, ammonia, and ethylene. The sectoral analysis results indicate that energy requirements to produce a unit of raw material in China are often higher than industrialized countries for most of the products analyzed in this paper, reflecting a significant potential to continue to improve energy efficiency in heavy industry.
Price, Lynn; Worrell, Ernst; Martin, Nathan; Lehman, Bryan; Sinton, Jonathan
Industrial pulverized coal low-NO{sub x} burner. Phase 1, Final report
Arthur D. Little, Inc., jointly with its university partner, the Massachusetts Institute of Technology, and its industrial partner, Hauck Manufacturing Corporation, is developing a low NO{sub x} pulverized coal burner for use in industrial processes, including those which may require preheated air or oxygen enrichment. The design of the burner specifically addresses the critical performance requirements of industrial systems, namely: high heat release rates, short flames, even heat flux distribution, and high combustion efficiency. The design is applicable to furnaces, industrial boilers, and cement kilns. The development program for this burner includes a feasibility analysis, performance modelling, development of the burner prototype design, and assessment of the economic viability of the burner. The Phase 1 activities covered by this report consisted of three principal tasks: preliminary burner design; fluid flow/combustion modelling and analyses; and market evaluation. The preliminary design activities included the selection of a design coal for the Phase 1 design, preliminary design layout, and preliminary sizing of the burner components. Modelling and analysis were conducted for the coal pyrolysis zone, the rich combustion zone and the lean bumout zone. Both chemical kinetics and one-dimensional coal combustion modelling were performed. The market evaluation included a review of existing industrial coal use, identification of potential near- and long-term markets and an assessment of the optimum burner sizes.
Comparison of Bottom-Up and Top-Down Forecasts: Vision Industry Energy Forecasts with ITEMS and NEMS
Comparisons are made of energy forecasts using results from the Industrial module of the National Energy Modeling System (NEMS) and an industrial economic-engineering model called the Industrial Technology and Energy Modeling System (ITEMS), a model...
Roop, J. M.; Dahowski, R. T
Comparisons of four categories of waste recycling in China's paper industry based on physical input-output life-cycle assessment model
Highlights: Black-Right-Pointing-Pointer Using crop straws and wood wastes for paper production should be promoted. Black-Right-Pointing-Pointer Bagasse and textile waste recycling should be properly limited. Black-Right-Pointing-Pointer Imports of scrap paper should be encouraged. Black-Right-Pointing-Pointer Sensitivity analysis, uncertainties and policy implications are discussed. - Abstract: Waste recycling for paper production is an important component of waste management. This study constructs a physical input-output life-cycle assessment (PIO-LCA) model. The PIO-LCA model is used to investigate environmental impacts of four categories of waste recycling in China's paper industry: crop straws, bagasse, textile wastes and scrap paper. Crop straw recycling and wood utilization for paper production have small total intensity of environmental impacts. Moreover, environmental impacts reduction of crop straw recycling and wood utilization benefits the most from technology development. Thus, using crop straws and wood (including wood wastes) for paper production should be promoted. Technology development has small effects on environmental impacts reduction of bagasse recycling, textile waste recycling and scrap paper recycling. In addition, bagasse recycling and textile waste recycling have big total intensity of environmental impacts. Thus, the development of bagasse recycling and textile waste recycling should be properly limited. Other pathways for reusing bagasse and textile wastes should be explored and evaluated. Moreover, imports of scrap paper should be encouraged to reduce large indirect impacts of scrap paper recycling on domestic environment.
Liang Sai [School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing 100084 (China); Zhang, Tianzhu, E-mail: email@example.com [School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing 100084 (China); Xu Yijian [School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing 100084 (China); China Academy of Urban Planning and Design, Beijing 100037 (China)
Industrial and Systems engineering
Industrial and Systems engineering COLLEGE of ENGINEERING DepartmentofIndustrialandSystemsEngineering EDGE Engineering Entrepreneur Certificate Program is a great addition to an industrial and systems to expert clinical recommendations. engineering.wayne.edu/isefaculty Industrial and systems engineering
CHNTRN: a CHaNnel TRaNsport model for simulating sediment and chemical distribution in a stream/river network
This report presents the development of a CHaNnel TRaNsport model for simulating sediment and chemical distribution in a stream/river network. A particular feature of the model is its capability to deal with the network system that may consist of any number of joined and branched streams/rivers of comparable size. The model employs a numerical method - an integrated compartment method (ICM) - which greatly facilitates the setup of the matrix equation for the discrete field approximating the corresponding continuous field. Most of the possible boundary conditions that may be anticipated in real-world problems are considered. These include junctions, prescribed concentration, prescribed dispersive flux, and prescribed total flux. The model is applied to two case studies: (1) a single river and (2) a five-segment river in a watershed. Results indicate that the model can realistically simulate the behavior of the sediment and chemical variations in a stream/river network. 11 references, 10 figures, 3 tables.
Yeh, G.T.
Industrial Infiltration
and among other manufacturers of infiltration control equipment. The model can be explained most clearly through an example. Suppose you have a building with a 10' wide by 10' high opening on the side facing a 880 FPM wind and a 5' by 5' opening... on the opposite side. The problem is to determine the velocity through the 10' by 10' and the 5' by 5' openings. One's first thought would be that the velocity for both openings would be 880 FPM. If it were, we would have 88,000 CFM entering the building...
Kennon, M. K.
IEEE TRANSACTIONS ON INDUSTRIAL ELECTRONICS, VOL. 51, NO. 5, OCTOBER 2004 1103 An Electrochemical-Based Fuel-Cell Model Suitable
IEEE TRANSACTIONS ON INDUSTRIAL ELECTRONICS, VOL. 51, NO. 5, OCTOBER 2004 1103 An Electrochemical, automotive, and stationary applications. In particular, proton exchange membrane FCs (PEMFCs) are considered
Simões, Marcelo Godoy
Classical ab initio van der Waals interactions from many-body dispersion and multipole machine learning models trained in chemical space
Accurate predictions of van der Waals forces require faithful models of dispersion, permanent and induced multipole-moments, as well as penetration and repulsion. We introduce a universal combined physics- and data-driven model of dispersion and multipole-moment contributions, respectively. Atomic multipoles are estimated "on-the-fly" for any organic molecule in any conformation using a machine learning approach trained on quantum chemistry results for tens of thousands of atoms in varying chemical environments drawn from thousands of organic molecules. Globally neutral, cationic, and anionic molecular charge states can be treated with individual models. Dispersion interactions are included via recently-proposed classical many-body potentials. For nearly one thousand intermolecular dimers, this approximate van der Waals model is found to reach an accuracy similar to that of state-of-the-art force fields, while bypassing the need for parametrization. Estimates of cohesive energies for the benzene crystal confi...
Bereau, Tristan; von Lilienfeld, O Anatole
CASL Industry Council Meeting
IndustryCouncil.shtml The new members that joined the Industry Council include NPP owneroperators with analysis capability: Tyrone Stevens of Exelon, and SMR vendors:...
Uranium industry annual 1997
This report provides statistical data on the U.S. uranium industry`s activities relating to uranium raw materials and uranium marketing.
Electric Utility Industry Update
Presentation�given at the April 2012 Federal Utility Partnership Working Group (FUPWG) meeting�covers significant electric industry trends and industry priorities with federal customers.
Review Article Clay and non-clay minerals in the pharmaceutical and cosmetic industries
Review Article Clay and non-clay minerals in the pharmaceutical and cosmetic industries Part II Pharmaceutical industry Cosmetic industry Active ingredients Physical and physico-chemical properties A wide range and variety of minerals are used in the pharmaceutical industry as active ingredients
Ahmad, Sajjad
The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectives of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.
A Framework to Design and Optimize Chemical Flooding Processes
Chemical Sciences Project Description
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation Proposed New Substation SitesStandingtheirCheck In &Chemical LabelChemicalChemicalModeling
Development of multicomponent hybrid density functional theory with polarizable continuum model for the analysis of nuclear quantum effect and solvent effect on NMR chemical shift
We have developed the multicomponent hybrid density functional theory [MC-(HF+DFT)] method with polarizable continuum model (PCM) for the analysis of molecular properties including both nuclear quantum effect and solvent effect. The chemical shifts and H/D isotope shifts of the picolinic acid N-oxide (PANO) molecule in chloroform and acetonitrile solvents are applied by B3LYP electron exchange-correlation functional for our MC-(HF+DFT) method with PCM (MC-B3LYP/PCM). Our MC-B3LYP/PCM results for PANO are in reasonable agreement with the corresponding experimental chemical shifts and isotope shifts. We further investigated the applicability of our method for acetylacetone in several solvents.
Kanematsu, Yusuke; Tachikawa, Masanori [Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027 (Japan)] [Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027 (Japan)
Excellence in biotechnology for fuels and chemicals
The Biotechnology Center for Fuels and Chemicals (BCFC) leads a national effort, in cooperation with industry, to develop innovative, market-driven biotechnologies for producing fuels and chemicals from renewable resources. The BCFC researchers focus on using bioprocesses to convert renewable biomass feedstocks into valuable products.
Neufeld, S.
Industrial energy-efficiency-improvement program
Progress made by industry toward attaining the voluntary 1980 energy efficiency improvement targets is reported. The mandatory reporting population has been expanded from ten original industries to include ten additional non-targeted industries and all corporations using over one trillion Btu's annually in any manufacturing industry. The ten most energy intensive industries have been involved in the reporting program since the signing of the Energy Policy and Conservation Act and as industrial energy efficiency improvement overview, based primarily on information from these industries (chemicals and allied products; primary metal industry; petroleum and coal products; stone, clay, and glass products; paper and allied products; food and kindred products; fabricated metal products; transportation equipment; machinery, except electrical; and textile mill products), is presented. Reports from industries, now required to report, are included for rubber and miscellaneous plastics; electrical and electronic equipment; lumber and wood; and tobacco products. Additional data from voluntary submissions are included for American Gas Association; American Hotel and Motel Association; General Telephone and Electronics Corporation; and American Telephone and Telegraph Company. (MCW)
Simulating flame lift-off characteristics of diesel and biodiesel fuels using detailed chemical-kinetic mechanisms and LES turbulence model.
Combustion in direct-injection diesel engines occurs in a lifted, turbulent diffusion flame mode. Numerous studies indicate that the combustion and emissions in such engines are strongly influenced by the lifted flame characteristics, which are in turn determined by fuel and air mixing in the upstream region of the lifted flame, and consequently by the liquid breakup and spray development processes. From a numerical standpoint, these spray combustion processes depend heavily on the choice of underlying spray, combustion, and turbulence models. The present numerical study investigates the influence of different chemical kinetic mechanisms for diesel and biodiesel fuels, as well as Reynolds-averaged Navier-Stokes (RANS) and large eddy simulation (LES) turbulence models on predicting flame lift-off lengths (LOLs) and ignition delays. Specifically, two chemical kinetic mechanisms for n-heptane (NHPT) and three for biodiesel surrogates are investigated. In addition, the RNG k-{epsilon} (RANS) model is compared to the Smagorinsky based LES turbulence model. Using adaptive grid resolution, minimum grid sizes of 250 {micro}m and 125 {micro}m were obtained for the RANS and LES cases respectively. Validations of these models were performed against experimental data from Sandia National Laboratories in a constant volume combustion chamber. Ignition delay and flame lift-off validations were performed at different ambient temperature conditions. The LES model predicts lower ignition delays and qualitatively better flame structures compared to the RNG k-{epsilon} model. The use of realistic chemistry and a ternary surrogate mixture, which consists of methyl decanoate, methyl 9-decenoate, and NHPT, results in better predicted LOLs and ignition delays. For diesel fuel though, only marginal improvements are observed by using larger size mechanisms. However, these improved predictions come at a significant increase in computational cost.
Som, S; Longman, D. E.; Luo, Z; Plomer, M; Lu, T; Senecal, P.K.; Pomraning, E (Energy Systems); (Univ. of Connecticut); (CONVERGENT Science)
Regional-scale chemical transport modeling in support of the analysis of observations obtained during the TRACE-P experiment
during the TRACE-P experiment G. R. Carmichael,1 Y. Tang,1 G. Kurata,3 I. Uno,2 D. Streets,4 J.-H. Woo,1 H. Huang,1 J. Yienger,1 B. Lefer,5 R. Shetter,5 D. Blake,6 E. Atlas,5 A. Fried,5 E. Apel,5 F. Eisele the TRACE-P experiment is used to evaluate how well the CFORS/STEM-2K1 regional-scale chemical transport
Clarke, Antony
INDUSTRIAL ENGINEERING GRADUATE PROGRAMS The Master of Science in Industrial Engineering (M Systems and Engineering (M.S.M.S.E.), the Doctor of Philosophy in Industrial Engineering, and the Doctor of Philosophy in Systems and Engineering Management programs prepare competent industrial engineers
Mechanical & Industrial Engineering 1 Welcome MIE Industrial Advisory Board May 5th, 2011 #12;Mechanical & Industrial Engineering 2 IAB 2010-2011 · David K. Anderson Alden Research Laboratory, Inc went on for three weeks Mechanical & Industrial Engineering 6 #12;Reza Shahbazian Yassar Mechanical
Industry Analysis February 2013
technology Clean tech/ clean technology #12;7 Industry Studies · IbisWorld U.S. and global industry-Industries · Biodiesel Biofuel Alternate fuels Green fuels Renewable fuels/energy Green energy Green Canada, Census, Industry Canada, the OECD, European Union, IMF, World Bank, UN . . . Never pay for stats
Abolmaesumi, Purang
Artificial neural network modeling of the spontaneous combustion occurring in the industrial-scale coal stockpiles with 10-18 mm coal grain sizes
Companies consuming large amounts of coal should work with coal stocks in order to not face problems due to production delays. The industrial-scale stockpiles formed for the aforementioned reasons cause environmental problems and economic losses for the companies. This study was performed in a coal stock area of a large company in Konya, which uses large amounts of coal in its manufacturing units. The coal stockpile with 5 m width, 10 m length, 3 m height, and having 120 tons of weight was formed in the coal stock area of the company. The inner temperature data of the stockpile was recorded by 17 temperature sensors placed inside the stockpile at certain points. In order to achieve this goal, the electrical signal conversion of temperatures sensed by 17 temperature sensors placed in certain points inside the coal stockpile, the transfer of these electrical signals into computer media by using analog-digital conversion unit after applying necessary filtration and upgrading processes, and the record of these information into a database in particular time intervals are provided. Additionally, the data relating to the air temperature, air humidity, atmospheric pressure, wind velocity, and wind direction that are the parameters affecting the coal stockpile were also recorded. Afterwards, these measurement values were used for training and testing of an artificial neural network model. Comparison of the experimental and artificial neural network results, accuracy rates of training and testing were found to be 99.5% and 99.17%, respectively. It is shown that possible coal stockpile behavior with this artificial neural network model is powerfully estimated.
Ozdeniz, A.H.; Yilmaz, N. [Selcuk University, Konya (Turkey). Dept. of Mining Engineering
Emerging Energy-Efficiency and Greenhouse Gas Mitigation Technologies for the Pulp and Paper Industry
Biomass Gasification Technologies for Fuels, Chemicals andEnergy, National Energy Technology Laboratory. CO ? Solution01GO10621. Industrial Technologies Progarm (ITP). 2006e.
Kong, Lingbo
Assessment of Energy Efficiency Improvement in the United States Petroleum Refining Industry
Green� with FCC Expander Technology,� Chemical EngineeringCONCAWE 2008, �Refinery Technology Support Group, Impact ofEnergy, Industrial Technologies Program, Nov. 2007.
Morrow III, William R.
The Analysis and Development of Large Industrial Steam Systems
Chemicals, petroleum, pulp and paper, and many other industries depend heavily on extensive complex steam systems for thermal and mechanical energy delivery. Steam's versatility and desirable characteristics as both a heat transfer medium and a...
Waterland, A. F.
A Low Cost Energy Management Program at Engelhard Industries Division
in technology related to precious metals and nonmetallic minerals. It manufactures high-performance chemical and precious metals products, including catalysts for the petroleum and automotive industries. Engelhard's energy costs have risen dramatically over...
Brown, T. S.; Michalek, R.; Reiter, S.
Preliminary Results from the Industrial Steam System Market Assessment
This paper discusses fuel use and potential energy savings in the steam systems of three steam intensive industries: pulp and paper, chemical manufacturing, and petroleum refining. To determine the energy consumption to generate steam...
McGrath, G. P.; Wright, A. L.
MIT and Life Sciences & Health Care Industries MIT Industry Brief
,Lasers,Spectroscopy · Informatics,Computation,Analysis,Modeling · LifestyleIssues · Medical-forward care; multiple blast and ballistic threats--materials damage, human #12;MIT and Life Sciences & Health Care Industries injury mechanisms, lightweight protective systems; hazardous substances sensing
Polz, Martin
Characterizing two-phase flow relative permeabilities in chemical flooding using a pore-scale network model
network model, enhanced oil recovery. Corresponding author.many tertiary or enhanced oil recovery (EOR) techniques have
Liu, Qingjie; Shen, Pingping; Wu, Yu-Shu
IPST: Enabling the Forest Bioproducts Industry
and new forest products, renewable energy, chemicals, advanced materials and pharmaceuticals. MissionIPST: Enabling the Forest Bioproducts Industry Strategic Directions and Capabilities September 10 for the cost-competitive transformation of forest biomaterials into value-added products, including traditional
working with industry Engineering and
of interests including: · laser physics · semiconductor optoelectronics · photonics in manufacturing · solar · micromechanics and condition monitoring · renewable energy modelling · carbon capture and storage Our institute to applied systems. We have a wide ranging programme of current work with many industrial companies in key
Painter, Kevin
Appendix F. Chemicals Oak Ridge Reservation Annual Site Environmental Report--2013
, housewares, pesticides, and industrial chemicals. Use of chemicals allows us to increase food production with a chemical substance. Chemicals released to the air may remain suspended for long periods, or they may effluents, which can enter streams and rivers. People are exposed to chemicals by inhalation (breathing air
Analysis of the impacts of Internet-based business activities on the container shipping industry : the system dynamics modeling approach with the framework of technological evolution
The internet-based business (e-business) activities have become a new technological challenge to the container shipping industry (CSI) in recent years. Despite the growing importance of e-business in the CSI, little ...
Auh, Jae Hyuck, 1969-
Industry strengths open new services opportunities
The environmental service industry is in a state of transition in which innovative technologies are increasingly playing a critical role. These changes play to the strengths of the chemical industry, and several firms are effectively growing environmental businesses. At the same time, chemical companies, which are among the largest buyers of environmental services, are making decisions that reflect the changes. Du Pont, for example, has decided to rethink its involvement with the controversial Waste Technologies Industries (WTI) hazardous waste incinerator in East Liverpool, OH. Initially expecting a shortage of incineration capacity, Du Pont had signed a contract - along with BASF and Chemical Waste Management - for a share of capacity at the 60,000-tons/year WTI unit. A number of chemical firms are leveraging their strengths. Air Products and Chemicals (Allentown, PA), for one, has partnerships in the waste-to-energy and flue-gas desulfurization businesses. The company runs cogeneration plants that can burn a combination of coal and natural gas to make both steam and electricity. Air Products assorted businesses can be strong at different times, says Hinman. The flue-gas desulfurization business, for example, was active during the first phase of enforcement of the 1990 Clean Air Act requirements for lower sulfur dioxide (SO[sub 2]) emissions.
Heller, K.
A method for the assessment of site-specific economic impacts of commercial and industrial biomass energy facilities. A handbook and computer model
A handbook on ``A Method for the Assessment of Site-specific Econoomic Impacts of Industrial and Commercial Biomass Energy Facilities`` has been prepared by Resource Systems Group Inc. under contract to the Southeastern Regional Biomass Energy Program (SERBEP). The handbook includes a user-friendly Lotus 123 spreadsheet which calculates the economic impacts of biomass energy facilities. The analysis uses a hybrid approach, combining direct site-specific data provided by the user, with indirect impact multipliers from the US Forest Service IMPLAN input/output model for each state. Direct economic impacts are determined primarily from site-specific data and indirect impacts are determined from the IMPLAN multipliers. The economic impacts are given in terms of income, employment, and state and federal taxes generated directly by the specific facility and by the indirect economic activity associated with each project. A worksheet is provided which guides the user in identifying and entering the appropriate financial data on the plant to be evaluated. The WLAN multipliers for each state are included in a database within the program. The multipliers are applied automatically after the user has entered the site-specific data and the state in which the facility is located. Output from the analysis includes a summary of direct and indirect income, employment and taxes. Case studies of large and small wood energy facilities and an ethanol plant are provided as examples to demonstrate the method. Although the handbook and program are intended for use by those with no previous experience in economic impact analysis, suggestions are given for the more experienced user who may wish to modify the analysis techniques.
Geochemical model of the granite-bentonite- groundwaterconductivity scale effects in granite (Full-scale EngineeredSamper et al. , 2008a). granite heater Relative humidity (%)
Zheng, L.
Chemical wellbore plug for zone isolation in horizontal wells
of chemicals that could be used to make wellbore plugs with sufficiently high holding pressures. Three chemicals, used in the oil industry for gas and/or water shut-off, were selected for the study. The commercial names of these chemicals were SEAL, PERMASEAL...
Saavedra, Nestor Fernando
A Generic Biogeochemical Module for Earth System Models: Next Generation BioGeoChemical Module (NGBGC), Version 1.0
Physical and biogeochemical processes regulate soil carbon dynamics and CO2 flux to and from atmosphere, influencing global climate changes. Integration of these processes into earth system models (e.g., community land models (CLM)), however, currently faces three major challenges: 1) extensive efforts are required to modify modeling structures and to rewrite computer programs to incorporate new or updated processes as new knowledge is being generated, 2) computational cost is prohibitively expensive to simulate biogeochemical processes in land models due to large variations in the rates of biogeochemical processes, and 3) various mathematical representations of biogeochemical processes exist to incorporate different aspects of fundamental mechanisms, but systematic evaluation of the different mathematical representations is difficult, if not possible. To address these challenges, we propose a new computational framework to easily incorporate physical and biogeochemical processes into land models. The new framework consists of a new biogeochemical module with a generic algorithm and reaction database so that new and updated processes can be incorporated into land models without the need to manually set up the ordinary differential equations to be solved numerically. The reaction database consists of processes of nutrient flow through the terrestrial ecosystems in plants, litter and soil. This framework facilitates effective comparison studies of biogeochemical cycles in an ecosystem using different conceptual models under the same land modeling framework. The approach was first implemented in CLM and benchmarked against simulations from the original CLM-CN code. A case study was then provided to demonstrate the advantages of using the new approach to incorporate a phosphorus cycle into the CLM model. To our knowledge, the phosphorus-incorporated CLM is a new model that can be used to simulate phosphorus limitation on the productivity of terrestrial ecosystems.
Fang, Yilin; Huang, Maoyi; Liu, Chongxuan; Li, Hongyi; Leung, Lai-Yung R.
Industrial fouling: problem characterization, economic assessment, and review of prevention, mitigation, and accommodation techniques
A comprehensive overview of heat exchanger fouling in the manufacturing industries is provided. Specifically, this overview addresses: the characteristics of industrial fouling problems; the mitigation and accommodation techniques currently used by industry; and the types and magnitude of costs associated with industrial fouling. A detailed review of the fouling problems, costs and mitigation techniques is provided for the food, textile, pulp and paper, chemical, petroleum, cement, glass and primary metals industries.
Garrett-Price, B.A.; Smith, S.A.; Watts, R.L.
Computers and Chemical Engineering 26 (2002) 10771085 Backstepping control of chemical tubular reactors
of the system using boundary control of temperature and concentration on the inlet side of the reactor. We that globally stabi- lizes an unstable steady state is designed for a chemical tubular reactor. The control industrial applications for chemical tubular reactors, the problem of monitoring and controlling them
Krstic, Miroslav
Endocrine Active Chemicals, Pharmaceuticals, and Other Chemicals of Concern in Surface Water, Wastewater-
, Wastewater- Treatment Plant Effluent, and Bed Sediment, and Biological Characteristics in Selected Streams Chemicals, Pharmaceuticals, and Other Chemicals of Concern in Surface Water, Wastewater- Treatment Plant, and Data, 2009 #12;Front cover. Industrial wastewater-treatment plant outflow in Worthington, Minnesota
Delivered Energy Consumption Projections by Industry in the Annual Energy Outlook 2002
This paper presents delivered energy consumption and intensity projections for the industries included in the industrial sector of the National Energy Modeling System.
INDUSTRIAL ENGINEER APPRENTICE OPPORTUNITY SUMMER 2013 Industrial Engineering COOP Student needed-Fri, for summer 2013. Student must be enrolled in BS Engineering program. (Preferably completed 2-3 yrs
Pohl, Karsten
Demographics and industry returns
Industry category Child care Children�s books Children�s clothing Toysindustry Child care Children�s books Children�s clothing ToysIndustries are associated with high demand by children (child care, toys) and
Pollet, Joshua A.; DellaVigna, Stefano
Electrotechnologies in Process Industries
The Industrial Program at the Electric Power Research Institute (EPRI) promotes the efficient use of electricity to improve the competitive position of the American industry. Electrotechnologies that improve productivity, improve quality...
Amarnath, K. R.
The Industrial Electrification Program
EPRI's role as the research organization of the electric power industry, in coordination with potential user industries, is to 1) define the viability of candidate electrification technologies by monitoring the state-of-the-art and continuously...
Harry, I. L.
Chemical Science
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation Proposed New Substation SitesStandingtheirCheck In &Chemical LabelChemical
Geothermal Industry Partnership Opportunities
Here you'll find links to information about partnership opportunities and programs for the geothermal industry.
MESTRADO EM MICROBIOLOGIA SEGURANA E HIGIENE INDUSTRIAL Instituto Superior Tcnico
MESTRADO EM MICROBIOLOGIA SEGURAN�?A E HIGIENE INDUSTRIAL Instituto Superior Técnico Objectivos for Engineers, 2º Ed, 2006 John Wiley & Sons, Inc. -D.A. Crowl, J.F. Louvar, Chemical Process Safety, 2ª Ed, 1989 -T. Klets, Still Going Wrong, Elsevier, USA, 2003 #12;-R.E. Sanders, Chemical process Safety
Instituto de Sistemas e Robotica
Measurement and modeling of Ar/H2/CH4 arc jet discharge chemical vapor deposition reactors. I. Intercomparison
of thin, polycrystalline diamond films, and the results of a two-dimensional r,z computer model domains. dc arc jets offer considerable advantages as a route to deposition of polycrystalline diamond
Bristol, University of
The application of an Eulerian chemical and transport model (CMAQ) at fine scale resolution to the UK�
Present-day numerical air quality models are considered essential tools for predicting future air pollutant concentrations and depositions, contributing to the development of new effective strategies for the control and ...
Pederzoli, Anna
Photovoltaics industry profile
A description of the status of the US photovoltaics industry is given. Principal end-user industries are identified, domestic and foreign market trends are discussed, and industry-organized and US government-organized trade promotion events are listed. Trade associations and trade journals are listed, and a photovoltaic product manufacturers list is included. (WHK)
Mechanical & Industrial Engineering Mario A. Rotea Professor and Department Head #12;2Mechanical & Industrial Engineering Outline · Undergraduate Degree Programs · Graduate Degree Programs · The Faculty · The Research · Summary #12;3Mechanical & Industrial Engineering Undergraduate Programs BSME & BSIE 0 20 40 60
INDUSTRIAL AND BIOMEDICAL APPLICATIONS Frank Smith, Nicholas Ovenden and Richard Purvis University are described, one industrial on violent water-air interaction during an impact process and the other biomedical: industrial, biomedical, impacts, networks, theory, computation, scales. 1. INTRODUCTION It is a pleasure
Purvis, Richard
Chemical Occurrences
Classification of Chemical Occurrence Reports into the following four classes: Occurrences characterized by serious energy release, injury or exposure requiring medical treatment, or severe environmental damage, Occurrences characterized by minor injury or exposure, or reportable environmental release, Occurrences that were near misses including notable safety violations and Minor occurrences.
The High Production Volume (HPV) Challenge Program 1 was conceived as a voluntary initiative aimed at developing and making publicly available screening-level health and environmental effects information on chemicals manufactured in or imported into the United States in quantities greater than one million pounds per year. In the Challenge Program, producers and importers of HPV chemicals voluntarily sponsored chemicals; sponsorship entailed the identification and initial assessment of the adequacy of existing toxicity data/information, conducting new testing if adequate data did not exist, and making both new and existing data and information available to the public. Each complete data submission contains data on 18 internationally agreed to �SIDS� (Screening Information Data Set 1,2) endpoints that are screening-level indicators of potential hazards (toxicity) for humans or the environment. The Environmental Protection Agency�s Office of Pollution Prevention and Toxics (OPPT) is evaluating the data submitted in the HPV Challenge Program on approximately 1400 sponsored chemicals by developing hazard characterizations (HCs). These HCs consist of an evaluation of the quality and completeness of the data set provided in the Challenge Program submissions. They are not intended to be definitive statements regarding the possibility of unreasonable risk of
See Section
Industrial policy and the Indian electronics industry
Recently, production within India's Electronics sector amounted to a low $12 billion when compared to the global output of $1400 billion. The slow growth in the local industry is often judged to be the result of late ...
Love, Robert (Robert Eric)
Model; 3-D; Monolith; Reactor; Optimization Introduction TheAngeles Global Optimization of Chemical Reactors and KineticGlobal Optimization of Chemical Reactors and Kinetic
Spontaneous polarization in an interfacial growth model for actin filament networks with a rigorous mechano-chemical coupling
Many processes in eukaryotic cells, including cell motility, rely on the growth of branched actin networks from surfaces. Despite its central role the mechano-chemical coupling mechanisms which guide the growth process are poorly understood, and a general continuum description combining growth and mechanics is lacking. We develop a theory that bridges the gap between mesoscale and continuum limit and propose a general framework providing the evolution law of actin networks growing under stress. This formulation opens an area for the systematic study of actin dynamics in arbitrary geometries. Our framework predicts a morphological instability of actin growth on a rigid sphere, leading to a spontaneous polarization of the network with a mode selection corresponding to a comet, as reported experimentally. We show that the mechanics of the contact between the network and the surface plays a crucial role, in that it determines directly the existence of the instability. We extract scaling laws relating growth dynamics and network properties offering basic perspectives for new experiments on growing actin networks.
Karin John; Denis Caillerie; Chaouqi Misbah
Interacting With the Pharmaceutical Industry
INTERACTING WITH THE PHARMACEUTICAL INDUSTRY Stephen R.to interactions with the pharmaceutical industry! This is ancome from the pharmaceutical industry. It is also reality
Hayden, Stephen R
Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R{sub mol} and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H{sub 2} from cold atomic gas. The formation timescale for H{sub 2} is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H{sub 2} formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H{sub 2} formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H{sub 2}. The observed correlation of R{sub mol} with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R{sub mol} with density. If we examine the value of R{sub mol} in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.
Mac Low, Mordecai-Mark [Department of Astrophysics, American Museum of Natural History, Central Park West at 79th Street, New York, NY 10024 (United States); Glover, Simon C. O., E-mail: email@example.com, E-mail: firstname.lastname@example.com [Zentrum der Astrophysik der Universitaet Heidelberg, Institut fuer Theoretische Astrophysik, Albert-Ueberle-Strasse 2, 69120 Heidelberg (Germany)
Nonlocal Polyakov-Nambu-Jona-Lasinio model with wave function renormalization at finite temperature and chemical potential
We study the phase diagram of strongly interacting matter in the framework of a nonlocal SU(2) chiral quark model which includes wave function renormalization and coupling to the Polyakov loop. Both nonlocal interactions based on the frequently used exponential form factor, and on fits to the quark mass and renormalization functions obtained in lattice calculations are considered. Special attention is paid to the determination of the critical points, both in the chiral limit and at finite quark mass. In particular, we study the position of the critical end point as well as the value of the associated critical exponents for different model parametrizations.
Contrera, G. A. [Physics Department, Comision Nacional de Energia Atomica, Av.Libertador 8250, 1429 Buenos Aires (Argentina); CONICET, Rivadavia 1917, 1033 Buenos Aires (Argentina); Orsaria, M. [CONICET, Rivadavia 1917, 1033 Buenos Aires (Argentina); Gravitation, Astrophysics and Cosmology Group, FCAyG, UNLP, La Plata (Argentina); Scoccola, N. N. [Physics Department, Comision Nacional de Energia Atomica, Av.Libertador 8250, 1429 Buenos Aires (Argentina); CONICET, Rivadavia 1917, 1033 Buenos Aires (Argentina); Universidad Favaloro, Solis 453, 1078 Buenos Aires (Argentina)
A Blueprint for Forest Products Industry
Major Model Components - Resource Assessment - Industry Structure - Product/Market Strategy - Economic Impacts Workforce Training Network Formation Resource Assessment Government Support Financing Economic Development Technology Profitability Resource Assessment Current & projected Commercial species Lesser-used species
Review of tribological sinks in six major industries
Friction and material wear occur throughout all industries and are involved in many processes within each industry. These conditions make assessing tribological activity overall in industry very complex and expensive. Therefore, a research strategy to obtain preliminary information on only the most significant industrial tribological sinks was defined. The industries examined were selected according to both the magnitude of overall energy consumption (particularly machine drive) and the known presence of significant tribological sinks. The six industries chosen are as follows: mining, agriculture, primary metals, chemicals/refining, food, and pulp and paper. They were reviewed to identify and characterize the major tribology sinks. It was concluded that wear losses are greater than friction losses, and that reducing wear rates would improve industrial productivity.
Imhoff, C.H.; Brown, D.R.; Hane, G.J.; Hutchinson, R.A.; Erickson, R.; Merriman, T.; Gruber, T.; Barber, S.
Uranium industry annual 1994
The Uranium Industry Annual 1994 (UIA 1994) provides current statistical data on the US uranium industry`s activities relating to uranium raw materials and uranium marketing during that survey year. The UIA 1994 is prepared for use by the Congress, Federal and State agencies, the uranium and nuclear electric utility industries, and the public. It contains data for the 10-year period 1985 through 1994 as collected on the Form EIA-858, ``Uranium Industry Annual Survey.`` Data collected on the ``Uranium Industry Annual Survey`` (UIAS) provide a comprehensive statistical characterization of the industry`s activities for the survey year and also include some information about industry`s plans and commitments for the near-term future. Where aggregate data are presented in the UIA 1994, care has been taken to protect the confidentiality of company-specific information while still conveying accurate and complete statistical data. A feature article, ``Comparison of Uranium Mill Tailings Reclamation in the United States and Canada,`` is included in the UIA 1994. Data on uranium raw materials activities including exploration activities and expenditures, EIA-estimated resources and reserves, mine production of uranium, production of uranium concentrate, and industry employment are presented in Chapter 1. Data on uranium marketing activities, including purchases of uranium and enrichment services, and uranium inventories, enrichment feed deliveries (actual and projected), and unfilled market requirements are shown in Chapter 2.
INDUSTRIAL&SYSTEMS Industrial and Systems engineers use engineering
78 INDUSTRIAL&SYSTEMS Industrial and Systems engineers use engineering and business principles companies compete in today's global marketplace. The Industrial and Systems engineer's task is to take of industries including consulting, technology development, software, supply chain manufacturing, engineering
Rohs, Remo
Development of the Conceptual Models for Chemical Conditions and Hydrology Used in the 1996 Performance Assessment for the Waste Isolation Pilot Plant
The Waste Isolation Pilot Plant (WIPP) is a US Department of Energy (DOE) facility for the permanent disposal of defense-related transuranic (TRU) waste. US Environmental Protection Agency (EPA) regulations specify that the DOE must demonstrate on a sound basis that the WIPP disposal system will effectively contain long-lived alpha-emitting radionuclides within its boundaries for 10,000 years following closure. In 1996, the DOE submitted the ''40 CFR Part 191 Compliance Certification Application for the Waste Isolation Pilot Plant'' (CCA) to the EPA. The CCA proposed that the WIPP site complies with EPA's regulatory requirements. Contained within the CCA are descriptions of the scientific research conducted to characterize the properties of the WIPP site and the probabilistic performance assessment (PA) conducted to predict the containment properties of the WIPP disposal system. In May 1998, the EPA certified that the TRU waste disposal at the WIPP complies with its regulations. Waste disposal operations at WIPP commenced on March 28, 1999. The 1996 WIPP PA model of the disposal system included conceptual and mathematical representations of key hydrologic and geochemical processes. These key processes were identified over a 22-year period involving data collection, data interpretation, computer models, and sensitivity studies to evaluate the importance of uncertainty and of processes that were difficult to evaluate by other means. Key developments in the area of geochemistry were the evaluation of gas generation mechanisms in the repository; development of a model of chemical conditions in the repository and actinide concentrations in brine; selecting MgO backfill and demonstrating its effects experimentally; and determining the chemical retardation capability of the Culebra. Key developments in the area of hydrology were evacuating the potential for groundwater to dissolve the Salado Formation (the repository host formation), development of a regional model for hydrologic conditions, development of a stochastic, probabilistic representation of hydraulic properties in the Culebra Member of the Rustler Formation; characterization of physical transport in the Culebra, and the evaluation of brine and gas flow in the Salado. Additional confidence in the conceptual models used in the 1996 WIPP PA was gained through independent peer review in many stages of their development.
Technology for Increasing Geothermal Energy Productivity. Computer Models to Characterize the Chemical Interactions of Goethermal Fluids and Injectates with Reservoir Rocks, Wells, Surface Equiptment
This final report describes the results of a research program we carried out over a five-year (3/1999-9/2004) period with funding from a Department of Energy geothermal FDP grant (DE-FG07-99ID13745) and from other agencies. The goal of research projects in this program were to develop modeling technologies that can increase the understanding of geothermal reservoir chemistry and chemistry-related energy production processes. The ability of computer models to handle many chemical variables and complex interactions makes them an essential tool for building a fundamental understanding of a wide variety of complex geothermal resource and production chemistry. With careful choice of methodology and parameterization, research objectives were to show that chemical models can correctly simulate behavior for the ranges of fluid compositions, formation minerals, temperature and pressure associated with present and near future geothermal systems as well as for the very high PT chemistry of deep resources that is intractable with traditional experimental methods. Our research results successfully met these objectives. We demonstrated that advances in physical chemistry theory can be used to accurately describe the thermodynamics of solid-liquid-gas systems via their free energies for wide ranges of composition (X), temperature and pressure. Eight articles on this work were published in peer-reviewed journals and in conference proceedings. Four are in preparation. Our work has been presented at many workshops and conferences. We also considerably improved our interactive web site (geotherm.ucsd.edu), which was in preliminary form prior to the grant. This site, which includes several model codes treating different XPT conditions, is an effective means to transfer our technologies and is used by the geothermal community and other researchers worldwide. Our models have wide application to many energy related and other important problems (e.g., scaling prediction in petroleum production systems, stripping towers for mineral production processes, nuclear waste storage, CO2 sequestration strategies, global warming). Although funding decreases cut short completion of several research activities, we made significant progress on these abbreviated projects.
Nancy Moller Weare
Design Considerations for Industrial Heat Recovery Systems
in U. S. industry. Consider the following ways that industry uses energy resources today: Process Steam 40% Feedstock for Chemicals 9% Direct Process Heat 28% Electrolytic Processes 3% Electric Drive 19% Other 1% It should be clear from these data... is in dispersed flow streams at temperatures less than 200?F. These streams are referred to in the thermo dynamic sense as "low quality" energy streams because their potential to do useful work or to provide useful process heat is relatively small. The "high...
Bywaters, R. P.
Chemical Evolution of CNO abundances
New low and intermediate star yields calculated by Buell (1997) are evaluated by using them in a Galactic Chemical Evolution model. We analyze their effects on CNO elemental abundances
M. Gavilan; M. Molla
Physical and chemical properties of the regional mixed layer of Mexico's Megapolis � Part II: Evaluation of measured and modeled trace gases and particle size distributions
This study extends the work of Baumgardner et al. (2009) in which measurements of trace gases and particles at a remote, high-altitude mountain site 60 km from Mexico City were analyzed with respect to the origin of air masses. In the current evaluation, the temperature, water vapor, ozone (O3), carbon monoxide (CO), acyl peroxy nitrate (APN) and particle size distributions (PSDs) of the mass concentrations of sulfate, nitrate, ammonium and organic mass (OM) were simulated with the WRF-Chem chemical transport model and compared with the measurements at the mountain site. The model prediction of the diurnal trends of the gases were well correlated with the measurements before the regional boundary layer reached the measurement site but underestimated the concentrations after that time. The differences are caused by an overly rapid growth of the boundary layer by the model with too much dilution. There also appears to be more O3 produced by photochemical production, downwind of the emission sources, than predicted by the model. The measured and modeled PSDs compare very well with respect to their general shape and diameter of the peak concentrations. The spectra are log normally distributed with most of the mass in the accumulation mode and the geometric diameter centered at 200 �20 nm, with little observed or predicted change with respect to the origin of the air mass or the time when the RBL is above the Altzomoni research. Only the total mass changed with time and air mass origin. The invariability of the average diameter of the accumulation mode suggests that there is very little growth of the particles by condensation or coagulation after six hours of aging downwind of the major sources of anthropogenic emissions in Mexico�s Megapolis.
Ochoa, Carlos; Baumgardner, Darrel; Grutter, M.; Allan, James D.; Fast, Jerome D.; Rappengluck, B.
HPI's role in chemicals' future
The hydrocarbon processing industry (HPI) concerns manufacturing of products from natural gas and crude petroleum oils. Also included are those other natural raw materials such as coal, kerogen and shale oil that are sources of fuels called ''synfuels,'' denoting these products are made from raw materials other than natural gas or crude petroleum oil. So the HPI is a major producer and consumer of thousands of different chemicals. Gathering supporting statistics remains largely a problem of definition and convention. Whether one chemical or another is included in a specific list often depends on the way its manufacturer is classified. To judge HPI's potential impact on worldwide chemical manufacturing, the authors reviewed all listings of petrochemical projects included in the ''HPI Construction Boxscore'' during the past few years. From the total, they selected those that had been announced in 1986 or later. Once the list was established, they added 1985 counts to help establish trends. This article discusses the resulting list.
Hoffman, H.L.; Riddle, L.
Evaluation of Efficiency Activities in the Industrial Sector Undertaken in Response to Greenhouse Gas Emission Reduction Targets
chemicals, light industry (iron foundries, cold storage andindustry ? Use of CHP ? Debottlenecking ? Increased production capacity ? Better use of production capacity ? Energy management Cold storage
Price, Lynn
Optimization of Industrial Applications with Hardware in the Loop
-RSJ International Conference on Intelligent Robots & Systems (2006)" #12;1 Optimization of Industrial ApplicationsOptimization of Industrial Applications with Hardware in the Loop Matthieu Guilbert St of industrial robots integrated in complex robot cells. Trajectory optimizers are usually based on models
Industrial Security Specialst
A successful candidate in this position will serve in a developmental capacity assisting senior specialists in carrying out a variety of industrial security and oversight functions.
Industrial Demand Module
Gasoline and Diesel Fuel Update (EIA)
Boiler, Steam, and Cogeneration (BSC) Component. The BSC Component satisfies the steam demand from the PA and BLD Components. In some industries, the PA Component produces...
Risk assessment for the Waste Technologies Industries (WTI) hazardous waste incineration facility (East Liverpool, Ohio). Volume 4. Atmospheric dispersion and deposition modeling of emissions
Contents: Introduction; Technical Description of ISC-COMPDEP; Modeling Input Parameters; Discussion of Modeling Results; Summary and Major Assumptions; and References.
COOEE bitumen: chemical aging
We study chemical aging in "COOEE bitumen" using molecular dynamic simulations. The model bitumen is composed of four realistic molecule types: saturated hydrocarbon, resinous oil, resin, and asphaltene. The aging reaction is modelled by the chemical reaction: "2 resins $\\rightarrow$ 1 asphaltene". Molecular dynamic simulations of four bitumen compositions, obtained by a repeated application of the aging reaction, are performed. The stress autocorrelation function, the fluid structure, the rotational dynamics of the plane aromatic molecules, and the diffusivity of each molecule, are determined for the four different compositions. The aging reaction causes a significant dynamics slowdown, which is correlated to the aggregation of asphaltene molecules in larger and dynamically slower nanoaggregates. Finally, a detailed description of the role of each molecule types in the aggregation and aging processes is given.
Lemarchand, Claire A; Dyre, Jeppe C; Hansen, Jesper S
Decision support tools for environmentally conscious chemical process design
The environment has emerged as an important determinant of the performance of the modern chemical industry. Process engineering in the 21st century needs to evolve to include environmental issues as part of the design ...
Cano Ruiz, Jos� Alejandro, 1969-
NETL-Led Laboratory-Industry-Academia Collaboration Is Accelerating...
of successful, effective collaboration among government, industry, and academia. The heart of the initiative is the CCSI Toolset, a suite of computer models and computational...
Dakota Electric Association- Commercial and Industrial Custom Energy Grant Program
Dakota Electric's Custom Energy Grant Program is offered for any commercial or industrial customer that installs qualifying energy-efficient products which exceed conventional models and result in...
Strategic vision toward the next-generation telecom industry
Telecommunication industry is experiencing volatile change in technology and business model. Every telecom company needs strategy that gives direction through rapidly shifting environment. NTT, Japanese telecom giant is ...
Yoshioka, Kenji, S.M. Massachusetts Institute of Technology
Advanced Industrial Materials (AIM) Program annual progress report, FY 1997
The Advanced Industrial Materials (AIM) Program is a part of the Office of Industrial Technologies (OIT), Energy Efficiency and Renewable Energy, US Department of Energy (DOE). The mission of AIM is to support development and commercialization of new or improved materials to improve energy efficiency, productivity, product quality, and reduced waste in the major process industries. OIT has embarked on a fundamentally new way of working with industries--the Industries of the Future (IOF) strategy--concentrating on the major process industries that consume about 90% of the energy and generate about 90% of the waste in the industrial sector. These are the aluminum, chemical, forest products, glass, metalcasting, and steel industries. OIT has encouraged and assisted these industries in developing visions of what they will be like 20 or 30 years into the future, defining the drivers, technology needs, and barriers to realization of their visions. These visions provide a framework for development of technology roadmaps and implementation plans, some of which have been completed. The AIM Program supports IOF by conducting research and development on materials to solve problems identified in the roadmaps. This is done by National Laboratory/industry/university teams with the facilities and expertise needed to develop new and improved materials. Each project in the AIM Program has active industrial participation and support.
Measurement and modeling of Ar/H2/CH4 arc jet discharge chemical vapor deposition reactors II: Modeling of the spatial dependence of expanded
and used to deposit thin films of polycrystalline diamond. This reactor has been the subject of many prior of micro- and nanocrystalline diamond and diamondlike carbon films. The model incorporates gas activation-containing radical species incident on the growing diamond surface C atoms and CH radicals within this reactor
Chemical Imaging Initiative Delivering New Capabilities for
Chemical Imaging Initiative Delivering New Capabilities for In Situ, Molecular-Scale Imaging A complete, precise and realistic view of chemical, materials and biochemical processes and an understanding sources and mathematical models. At Pacific Northwest National Laboratory, the Chemical Imaging Initiative
Geothermal industry assessment
An assessment of the geothermal industry is presented, focusing on industry structure, corporate activities and strategies, and detailed analysis of the technological, economic, financial, and institutional issues important to government policy formulation. The study is based principally on confidential interviews with executives of 75 companies active in the field. (MHR)
Growing Hawaii's agriculture industry,
Program Overview Growing Hawaii's agriculture industry, one business at a time Website: http-3547 email@example.com Grow Your Business If you are looking to start an agriculture-related business with our program · Positively impact the agriculture industry in Hawaii with their success
and Industrial Engineering
45 Mechanical and Industrial Engineering 220 Engineering Lab Degrees: Bachelor of Science in Mechanical Engineering Bachelor of Science in Industrial Engineering Contact: James R. Rinderle, Undergraduate Program Director Office: 207C Engineering Lab Building Phone: (413) 545-2505 Head of Department
Industrial Optimization Compact Course
Industrial Optimization Compact Course and Challenge Workshop Optimization plays a crucial role of the processes are typically nonlinear and dyna- mic. Thus, complex dynamic optimization or optimal control in industrial optimization. February 1720, 2014 ·9.0017.00 IWR ·Im Neuenheimer Feld 368 ·69120 Heidelberg www
Kirches, Christian
Chemical Kinetic Research on HCCI & Diesel Fuels
improved gasoline surrogate fuels for HCCI engines * Development of very efficient software to reduce the size of detailed chemical kinetic models for transportation fuels...
Uranium industry annual 1996
The Uranium Industry Annual 1996 (UIA 1996) provides current statistical data on the US uranium industry`s activities relating to uranium raw materials and uranium marketing. The UIA 1996 is prepared for use by the Congress, Federal and State agencies, the uranium and nuclear electric utility industries, and the public. Data on uranium raw materials activities for 1987 through 1996 including exploration activities and expenditures, EIA-estimated reserves, mine production of uranium, production of uranium concentrate, and industry employment are presented in Chapter 1. Data on uranium marketing activities for 1994 through 2006, including purchases of uranium and enrichment services, enrichment feed deliveries, uranium fuel assemblies, filled and unfilled market requirements, uranium imports and exports, and uranium inventories are shown in Chapter 2. A feature article, The Role of Thorium in Nuclear Energy, is included. 24 figs., 56 tabs.
Industrial energy efficiency policy in China
Chinese industrial sector energy-efficiency policy has gone through a number of distinct phases since the founding of the People s Republic in 1949. An initial period of energy supply growth in the 1950s, 1960s, and 1970s was followed by implementation of significant energy efficiency programs in the 1980s. Many of these programs were dismantled in the 1990s during the continuing move towards a market-based economy. In an effort to once again strengthen energy efficiency, the Chinese government passes the Energy Conservation Law in 1997 which provides broad guidance for the establishment of energy efficiency policies. Article 20 of the Energy Conservation Law requires substantial improvement in industrial energy efficiency in the key energy-consuming industrial facilities in China. This portion of the Law declares that ''the State will enhance energy conservation management in key energy consuming entities.'' In 1999, the industrial sector consumed nearly 30 EJ, or 76 percent of China's primary energy. Even though primary energy consumption has dropped dramatically in recent years, due mostly to a decline in coal consumption, the Chinese government is still actively developing an overall policy for energy efficiency in the industrial sector modeled after policies in a number of industrialized countries. This paper will describe recent Chinese government activities to develop industrial sector energy-efficiency targets as a ''market-based'' mechanism for improving the energy efficiency of key industrial facilities.
Price, Lynn; Worrell, Ernst; Sinton, Jonathan; Yun, Jiang
Posted 3/2/13 Medline Industries Industrial Engineer
Posted 3/2/13 Medline Industries Industrial Engineer Medline Industries, Inc. has an immediate opening for an Industrial Engineer for our SPT Division located in Waukegan, IL. We are seeking a hard-working, detail-oriented professional with experience in industrial engineering and lean manufacturing within
Heller, Barbara
INDUSTRIAL&SYSTEMS Industrial and Systems engineers use
78 INDUSTRIAL&SYSTEMS Industrial and Systems engineers use engineering and business principles companies compete in today's global marketplace. The Industrial and Systems engineer's task is to take · Industrial and Systems Engineering Bachelor of Science 128 units · Industrial and Systems Engineering
INDUSTRIAL & SYSTEMS Industrial and Systems engineers use engineering
78 INDUSTRIAL & SYSTEMS Industrial and Systems engineers use engineering and business principles companies compete in todays global marketplace. The Industrial and Systems engineers task is to take limited Industrial and Systems Engineering Bachelor of Science 128 units Industrial and Systems Engineering
CHEMICAL ENGINEERING AND MANUFACTURING CHEMICAL ENGINEERING Objective Chemical Engineers manufacturing, etc. Now that students have a background on Chemical Engineers, it is time for the activity. Blue frosting e. Green frosting f. Pink frosting g. Purple frosting h. Sprinkle sorting i. Sprinkle
Provancher, William
Chemical Reactions in DSMC
DSMC simulations of chemically reacting gas flows have generally employed procedures that convert the macroscopic chemical rate equations to reaction cross-sections at the microscopic level. They therefore depend on the availability of experimental data that has been fitted to equations of the Arrhenius form. This paper presents a physical model for dissociation and recombination reactions and a phenomenological model for exchange and chain reactions. These are based on the vibrational states of the colliding molecules and do not require any experimentally-based data. The simplicity of the models allows the corresponding rate equations to be written down and, while these are not required for the implementation of the models, they facilitate their validation. The model is applied to a typical hypersonic atmospheric entry problem and the results are compared with the corresponding results from the traditional method. It is also used to investigate both spontaneous and forced ignition as well as the structure of a deflagration wave in an oxygen-hydrogen mixture.
Bird, G. A. [GAB Consulting Pty Ltd, 144/110 Sussex Street, Sydney NSW 2000 (Australia)
Organic chemical contaminants in Biosolids Sally Brown
under the general classification "dioxins." Dioxins are one of the well known dangerous organic chemicals. Dioxins had commercial uses, primarily in the pulp and paper industry, but have been outlawed due. There are many types of dioxins. "Dioxin" is actually a general term for a large number of compounds that contain
Brown, Sally
JOINT SEMINAR Chemical and Biological Engineering
in the failure of oil capture from the dome placed on top of the flowing well. In one very large natural gas. The energy industry uses large quantities of aromatic solvents to change bulk phase properties to avoidJOINT SEMINAR Chemical and Biological Engineering and Wanger Institute for Sustainable Energy
Saniie, Jafar
Energy Management at Dow Chemical Co.
As one of the largest industrial consumers of energy in the world, The Dow Chemical Company and its 46,000 employees have put energy efficiency at the very core of its business � both as a cost savings initiative and as a primary corporate social...
Almaguer, J.
Catalyzing innovations for sustainable chemicals & fuels for
2013 2003 2012 2011 2010 2009 2004 2005 2006 2007 2008 years Catalyzing innovations for sustainable 8 Students & Postdocs 9 Recent Publications 10 Simple and Safer Processes Broad Industrial Impact(CEBC)bringstogetherchemistsandchemical engineerstodevelopcleanerandmoreefficient processes for making fuels and chemicals from bothtraditionalandrenewablefeedstocks
New environmental concepts in the chemical and coke industries
We know that environmentally pure technologies do not exist. Coke production is no exception to the rule. The article considers the logic of environmental decision making. Attention focuses on a new bank of ecologically appropriate materials whose release to the biosphere must be considered solely in quantititative terms. Qualitativily all these materials are familiar; they are assimilated by populations of microorganisms and tar thus compatible with the biosphere.
A.Yu. Naletov; V.A. Naletov [Mendeleev Russian Chemical-Engineering University (Russian Federation)
-oxide-semiconductor field effect transistor (MOSFET) o Light emitting diodes (LEDs): principles and characteristics o
Massachusetts at Amherst, University of
2CHEMICALINDUSTRYENVIROMENTALTECHNOLOGYPROJECTS.pdf WA97032CHEMICALINDUSTRYENVIROMENTALTECHNOLOGYPROJECTS.pdf WA97032CHEMICALINDUSTRYENVIROMENTALTECHNOLOGYPROJEC...
Economics of Energy Conservation in the Chemical and Petrochemical Industries
to $2.3 million dollars giving a five month return on the investment I Extensive modification of distillation equipment should be carefully examined in light of the relative escalation in fuel prices versus the escalation in the cost of process... the local utility. There have been cases where the other utility can pay a higher price to the cogenerator than the rate extended by the original utility, which essentially means that the user can purchase power cheaper from the local utility than...
Nachod, J. E. Jr.
Metal Hydride Chemical Heat Pumps for Industrial Use
Hydriding alloys are intermetallic absorbent compounds which have the remarkable quality of absorbing very large quantities of hydrogen gas per unit volume of metallic powder. The absorption and desorption of hydrogen are exothermic and endothermic...
Ally, M. R.; Rebello, W. J.; Rosso, M. J., Jr.
ITP Chemicals: Industrial Feedstock Flexibility Workshop Results, December
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:YearRound-UpHeatMulti-Dimensionalthe U.S. Department ofIOWA1999) | Department2009 | Department of
Organic Rankine Cycles for the Petro-Chemical Industry
and economically convert this type of heat flow into useful power. The system under development by MTI is one based on a conventional fluorocarbon refrigerant to generate a nominal 1000 kW from typical liquid and vapor streams in the process plant. The 220 F...
Rose, R. K.; Colosimo, D. D.
Petrographic characterization of Kentucky coals. Final report. Part IV. A petrographic and chemical model for the evolution of the Tradewater Formation coals in Western Kentucky
A depositional model for the coals of the Tradewater Formation and associated rock units was constructed as a predictive device for the occurrence of economically important low sulfur coal. Twenty-one cores were examined and ninety-eight coal samples were analyzed for maceral, ash, and sulfur contents. These data were then analyzed to determine regional variation as well as vertical variation in single coal columns. Core data indicate that the majority of the Tradewater rocks consist of irregularly distributed, coarsening-upward, fine-grained detrital material which was deposited in shallow bodies of water. Minor fossiliferous shales and limestones suggest a marine influence. Less common coarse-grained, fining-upward sequences appear to be deposits of meandering channels. Like the detrital rocks, the coal seams are also irregularly distributed and exhibit variable petrographic and chemical properties reflecting changes in the Eh and pH of the coal swamp waters as well as detrital influx into the swamps. These swamps were relatively limited in extent and probably occupied the upper reaches of the tidal zone. The lack of significant stratigraphic and geographic trends in the regional data suggests that this mode of deposition was widespread and continued for a long period of time. 42 references, 19 figures, 9 tables.
Graese, A.M.; Hower, J.C.; Ferm, J.C.
FROM THE COLOR-MAGNITUDE DIAGRAM OF {omega} CENTAURI AND (SUPER-)ASYMPTOTIC GIANT BRANCH STELLAR MODELS TO A GALACTIC PLANE PASSAGE GAS PURGING CHEMICAL EVOLUTION SCENARIO
We have investigated the color-magnitude diagram of {omega} Centauri and find that the blue main sequence (bMS) can be reproduced only by models that have a helium abundance in the range Y = 0.35-0.40. To explain the faint subgiant branch of the reddest stars ('MS-a/RG-a' sequence), isochrones for the observed metallicity ([Fe/H] Almost-Equal-To -0.7) appear to require both a high age ({approx}13 Gyr) and enhanced CNO abundances ([CNO/Fe] Almost-Equal-To 0.9). Y Almost-Equal-To 0.35 must also be assumed in order to counteract the effects of high CNO on turnoff colors and thereby to obtain a good fit to the relatively blue turnoff of this stellar population. This suggests a short chemical evolution period of time (<1 Gyr) for {omega} Cen. Our intermediate-mass (super-)asymptotic giant branch (AGB) models are able to reproduce the high helium abundances, along with [N/Fe] {approx}2 and substantial O depletions if uncertainties in the treatment of convection are fully taken into account. These abundance features distinguish the bMS stars from the dominant [Fe/H] Almost-Equal-To -1.7 population. The most massive super-AGB stellar models (M{sub ZAMS} {>=} 6.8 M{sub Sun }, M{sub He,core} {>=} 1.245 M{sub Sun }) predict too large N enhancements, which limit their role in contributing to the extreme populations. In order to address the observed central concentration of stars with He-rich abundance, we show here quantitatively that highly He- and N-enriched AGB ejecta have particularly efficient cooling properties. Based on these results and on the reconstruction of the orbit of {omega} Cen with respect to the Milky Way, we propose the Galactic plane passage gas purging scenario for the chemical evolution of this cluster. The bMS population formed shortly after the purging of most of the cluster gas as a result of the passage of {omega} Cen through the Galactic disk (which occurs today every {approx}40 Myr for {omega} Cen) when the initial mass function of the dominant population had 'burned' through most of the Type II supernova mass range. AGB stars would eject most of their masses into the gas-depleted cluster through low-velocity winds that sink to the cluster core due to their favorable cooling properties and form the bMS population. In our discussion we follow our model through four passage events, which could explain some key properties not only of the bMS but also of the MS-a/RGB-a and the s-enriched stars.
Herwig, Falk; VandenBerg, Don A.; Navarro, Julio F. [Department of Physics and Astronomy, University of Victoria, P.O. Box 3055, Victoria, BC V8W 3P6 (Canada); Ferguson, Jason [Department of Physics, Wichita State University Wichita, KS 67260 (United States); Paxton, Bill, E-mail: email@example.com, E-mail: email@example.com, E-mail: firstname.lastname@example.com, E-mail: email@example.com [KITP/UC Santa Barbara, Santa Barbara, CA 93106 (United States)
Qualitative Theory and Chemical Explanation
Abstract Roald Hoffmann and other theorists claim that we we ought to use highly idealized chemical models defend Hoffmann's norm for modelling. Many thanks to Michael Friedman, Robin Hendry, Ben Kerr, Deena to thank Roald Hoffmann who has been an in- spiring mentor and who's reflections on the philosophical
Weisberg, Michael
Industrial Heat Pumps Using Solid/Vapor Working Fluids
INDUSTRIAL HEAT PUMPS USING SOLID/VAPOR WORKING FLUIDS Uwe Rockenfeller, Desert Research Institute, Boulder City, Nevada ABSTRACT Industrial heat pumps have the potential to reduce the operating costs of chemical and heat treating processes... with vapor re-compression recovery systems. The state-of-the-art heat pump equipment employing liquid/vapor working fluids fulfills the requirements only in some applications. The employment of solid/vapor complex compounds leads to 'nore cost effective...
Rockenfeller, U.
Load Management for Industry
In the electric utility industry, load management provides the opportunity to control customer loads to beneficially alter a utility's load curve Load management alternatives are covered. Load management methods can be broadly classified into four...
Konsevick, W. J., Jr.
Utility and Industrial Partnerships
In the past decade, many external forces have shocked both utilities and their large industrial customers into seeking more effective ways of coping and surviving. One such way is to develop mutually beneficial partnerships optimizing the use...
Sashihara, T. F.
Uranium Industry Annual, 1992
The Uranium Industry Annual provides current statistical data on the US uranium industry for the Congress, Federal and State agencies, the uranium and electric utility industries, and the public. The feature article, ``Decommissioning of US Conventional Uranium Production Centers,`` is included. Data on uranium raw materials activities including exploration activities and expenditures, resources and reserves, mine production of uranium, production of uranium concentrate, and industry employment are presented in Chapter 1. Data on uranium marketing activities including domestic uranium purchases, commitments by utilities, procurement arrangements, uranium imports under purchase contracts and exports, deliveries to enrichment suppliers, inventories, secondary market activities, utility market requirements, and uranium for sale by domestic suppliers are presented in Chapter 2.
Industrial Assessment Center
The University of Dayton (UD) performed energy assessments, trained students and supported USDOE objectives. In particular, the UD Industrial Assessment Center (IAC) performed 96 industrial energy assessment days for mid-sized manufacturers. The average identified and implemented savings on each assessment were $261,080 per year and $54,790 per year. The assessments served as direct training in industrial energy efficiency for 16 UD IAC students. The assessments also served as a mechanism for the UD IAC to understand manufacturing energy use and improve upon the science of manufacturing energy efficiency. Specific research results were published in 16 conference proceedings and journals, disseminated in 22 additional invited lectures, and shared with the industrial energy community through the UD IAC website.
J. Kelly Kissock; Becky Blust
Chemical Kinetic Modeling of Fuels
petroleum based fuels * Non-petroleum based fuels: - Biodiesel and new generation biofuels - Fischer-Tropsch (F-T) fuels - Oil sand derived fuels Reduce mechanisms for...