Modeling of CO2 Solubility in 1-butyl-3-methylimidazolium tricyanomethaneIonic Liquid Using CPA EoS
Volume Title: 1
دانشگاه صنعتی شاهرود، دانشکده مهندسی شیمی و مواد
The present work presents results of simulation of CO2 solubility in 1-butyl-3-methylimidazolium tricyanomethane ([C4mim][C(CN)3]) Ionic Liquid using Cubic Plus Association (CPA) Equation of state. To calculate the liquid phase concentrations, Reaction Equilibrium Thermodynamic Model (RETM) was utilized. The RETM defines an AB2 type reaction mechanism between two IL and one CO2 molecules into liquid phase. The [C4mim][C(CN)3] and CO2 were considered to follow 2B and 1A association scheme. In other words, CO2 was assumed to has not self association but it can establish cross association with the IL. The results show excellent performance of the model to correlate CO2 solubility in [C4mim][C(CN)3] so that the overall AAD% equal to 6.58 obtained.