Korean Journal of Chemical Engineering, Vol.28, No.1, 246-251, 2011
Thermodynamic modeling of CO2 solubility in ionic liquid ([C(n)-mim] [Tf2N]; n=2, 4, 6, 8) with using Wong-Sandler mixing rule, Peng-Rabinson equation of state (EOS) and differential evolution (DE) method
Environmental and safety regulations are creating increasing interest in ionic liquids which have been used as alternative solvents for a wide range of industrial applications. Knowing the phase equilibrium of these materials is very important. In this study, the solubility of CO2 in ionic liquid 1-alkyl-3 methylimidazolium bis (trifluoromethylsulfonyl) imide ([C(n)-mim][Tf2N]; n=2, 4, 6, 8) was probed with the Peng-Robinson (PR) equation of state (EOS) and Wong-Sandler mixing rule and van Laar model for excess Gibbs free energy. The differential evolution (DE) optimization
method was applied to optimize the binary interaction parameter and activity coefficients. Moreover, binary interaction parameters and activity coefficients were presented as mathematical correlations that for various materials have depended on temperature. Our results showed that average absolute derivations of our proposed model were less than other existing models, and by using the aforesaid method better prediction could be achieved.
Eslamimanesh A, A.Shariati Presented at VIII Iberoamerican conference on Phase Equilibria and Fluid Properties for process design (Equifase), Praia da Rocha, Portugal, Oct., 2009
Storn R, J. Global Optim., 11, 341, 1997
Price K and Storn R, Home page of differential evolution as on April 25. URL: http://www.ICSI.Berkeley.edu/storn/code.html.