Could we do things differently? Is there some way to accurately predict the process kinetics without relying on pilot plant experiments? Could we predict the efficiency and rates of several different processes to achieve the same goals on the computer, to more efficiently hone in on the best process? Could we build a more accurate model, that includes the minor by-products and the physics underlying different upsets? There are at least two distinct issues when trying to make these predictions: Predicting which species and reactions are important in the process, and (2) Predicting the numerical values of all the rate coefficients, equilibrium constants, and other parameters needed for kinetic simulations.