To equilibrate the IL solutions, the following procedure was employed. The system was first energy minimized using conjugate gradient algorithm. Then, the system was equilibrated for 4 short runs of 150 ps each in the NVT ensemble, 14 short runs of 150 ps each in an NPT ensemble at 298K, in which the density was recorded over the last 150 ps and averaged.Then, each system was further simulated for 10ns runs in the NPT ensemble, and the trajectory was saved for analysis by Travis. The equilibration was assured by analyzing the system potential energy and relevant physicochemical properties such as density as a function of simulation time. ILs are highly viscous, thus MD simulations have to contend with slow dynamics. The phase space of the system is sampled slowly, resulting in a slow convergence of the thermodynamic averages studied. The short time dynamics of ionic liquids is characterized by an ion cage , in which a certain ion is confined. Diffusion out of this cage is a rather slow process, whereas reorientation within the cage is usually much faster. Therefore, the near ordering of the ions can form without the need for diffusion over larger distances. The systems were visualized in VMD . In order to explore the structures of ion coordination geometries in the ionic liquid-carbonate mixtures relative to a central immidazolium cation ring [EMI] + , we have generated radial distribution function (RDF) and spatial distribution functions (SDFs) and combined distribution functions using the TRAVIS software package and built-in LAMMPS codes for calculations RDFs.