Study of thermodynamic properties of ionic liquids based on imidazolium cation and three fluoro tris penta fluoro ethyl phosphate anion using molecular dynamics simulations

In this article, structural properties of ionic liquids; 1-alkyl 3-methyl imidazolium with thealkyl chain of ethyl, butyl, hexyl and three flouro tris Penta flouro alkyl phosphate anion; arestudied using molecular dynamics simulations and Lopez all-atom force field. As thismolcules is so usefull on absorbing co2. The structural properties such as density and radialdistribution function, were calculated at 303.15 k. The results showed that the density ofthese ionic liquids increased by decreasing the length of the alkyl chain as[C2mim]+>[C4mim]+>[C6mim]+>. Radial distribution functions for centers of mass of anioncation;anion-anion and cation-cation were calculated and discussed.