Modification of Peng Robinson EOS for modelling (vapour + liquid) equilibria with electrolyte solutions

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• 作者：Hadi Baseri^a ; Mohammad Nader Lotfollahi ; ^a ; ^{mnlotfollahi@semnan.ac.ir"" rel=""nofollow}
• 关键词：Equation of state ; Peng– ; Robinson ; (Vapour + liquid) equilibrium ; Electrolyte solution ; High pressure ; Mixing rules
• 刊名：Journal of Chemical Thermodynamics
• 出版年：2011
• 出版时间：October 2011
• 年：2011
• 卷：43
• 期：10
• 页码：1535-1540
• 全文大小：762 K

文摘

A modification of the extended Peng–Robinson equation of state (PR-EOS) is presented to describe the (vapour + liquid) equilibria of systems containing water and salts. The modification employs three additional terms including a Born term, a Margules term and two terms separately used for estimation of the long-range electrostatic interactions (the Debye–Huckel (DH) or the mean spherical approximation (MSA) terms). Effects of two mixing rules, first, the Panagiotopoulos and Reid mixing rule (PR) and, second, the Kwak and Mansoori mixing rule (KM), on the final values of VLE calculations are also investigated. The results show that the KM mixing rule is more appropriate than the PR mixing rule. The proposed equation of state is used to calculate the (vapour + liquid) equilibrium (VLE) of the systems containing (water + sodium sulphate + carbon dioxide) and (water + sodium chloride + carbon dioxide) at high pressure. The comparison of calculated results with the experimental data shows that a combination of KM mixing rule with the DH term results a more accurate VLE values.