화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.239, No.2, 206-212, 2006
Phase equilibrium calculations for carbon dioxide plus n-alkanes binary mixtures with the Wong-Sandler mixing rules
Phase equilibrium for carbon dioxide + n-alkanes (from methane to n-decane) asymmetric binary systems was calculated using Peng-Robinson Stryjek-Vera equation of state coupled with Wong-Sandler mixing rules. NRTL model was utilized for predicting the excess Helmholtz free energy. The second virial coefficient binary interaction parameter k(12) and NRTL model parameters tau(12) and tau(21) for carbon dioxide + n-alkanes binary systems were optimized trough minimization of two different objective functions: one based on the calculation of the distribution coefficients, and the other one based on the determination of bubble point pressures. Generalized correlations for mixing rule parameters as a function of the n-alkane acentric factor and the equilibrium temperature were obtained from optimal parameters determined by the first objective function. Obtained results using both objective functions were satisfactory, but the estimation of the parameters calculated by the second objective function provided a better accuracy in vapor-liquid equilibrium prediction. (c) 2005 Published by Elsevier B.V.