Parameters estimation and VLE calculation in asymmetric binary mixtures containing carbon dioxide+ n-alkanols

Abstract: In the present work, the estimation of the parameters for asymmetric binary mixtures of carbon dioxide+ n-alkanols has been developed. The binary interaction parameter k 12 of the second virial coefficient and non-random two liquid model parameters τ 12 and τ 21 were obtained using Peng–Robinson equation of state coupled with the Wong–Sandler mixing rules. In all cases, Levenberg–Marquardt minimization algorithm was used for the parameters optimization employing an objective function based on the calculation of the distribution coefficients for each component. Vapor–liquid equilibrium for binary asymmetric mixtures (CO2 + n-alkanol, from methanol to 1-decanol) was calculated using the obtained values of the mentioned parameters. The agreement between calculated and experimental values was satisfactory. [Copyright &y& Elsevier]