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Received August 7, 2006
Accepted October 26, 2006
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Phase equilibria of associating fluid mixtures using the perturbed-hard-sphere-chain equation of state combined with the association model
Department of Chemical Engineering, Kangwon National University, 192-1, Hyoja 2-dong, Chuncheon 200-701, Korea
kichang@kangwon.ac.kr
Korean Journal of Chemical Engineering, January 2007, 24(1), 133-147(15), 10.1007/s11814-007-5023-2
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Abstract
For developing the equation of state which can be applicable to associating fluids, the Perturbed-Hard-Sphere-Chain-Association (PHSC-AS) equation of state is proposed by incorporating the association term of the SAFT model into the PHSC equation of state which has been widely used to describe phase equilibria for the fluid system containing a large molecule such as polymer. In this work, two different types of PHSC models have been examined. One is the original model proposed by Song et al., and the other is the modified model by Kim and Bae whose chain term was replaced with that of the SAFT model. As a result, two types of PHSC-AS models are obtained, and applied to the calculation of phase equilibria for the binary system containing a self-associating compound such as alcohol, amine and carboxylic acid, etc. The calculated results of vapour-liquid equilibria are in good agreement with the experimental data. The proposed models (PHSC-AS) are also compared to the PC-SAFT model.
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Kim IH, Bae YC, Fluid Phase Equilib., 168(2), 201 (2000)
Kontogeorgis GM, Voutsas EC, Yakoumis IV, Tassios DP, Ind. Eng. Chem. Res., 35(11), 4310 (1996)
Mansoori GA, Carnahan NF, Starling KE, Leland TW, J. Chem. Phys., 54, 1523 (1971)
Muller EA, Gubbins KE, Ind. Eng. Chem. Res., 40(10), 2193 (2001)
Oh BC, Shin HY, Kim H, Korean J. Chem. Eng., 20(5), 911 (2003)
Panayiotou C, Sanchez IC, J. Phys. Chem., 95, 10090 (1991)
Prausnitz JM, Lichtenthaler RN, Azevedo EG, Molecular thermodynamics of fluid-phase equilibria, Third edition, Prentice-Hall PTR (1999)
Song YH, Lambert SM, Prausnitz JM, Ind. Eng. Chem. Res., 33(4), 1047 (1994)
Song YH, Hino T, Lambert SM, Prausnitz JM, Fluid Phase Equilib., 117(1-2), 69 (1996)
Veytsman BA, J. Phys. Chem., 94, 8499 (1990)
Wei YS, Sadus RJ, AIChE J., 46(1), 169 (2000)
Wertheim MS, J. Stat. Phys., 35, 35 (1984)
Wertheim MS, J. Stat. Phys., 42, 459 (1986)
Wolbach JP, Sandler SI, Ind. Eng. Chem. Res., 37(8), 2917 (1998)
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