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Received September 25, 2008
Accepted December 15, 2008
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Modified Guggenheim-Huggins-Miller combinatorial factor and its application to lattice fluid equation of state
School of Chemical & Biological Engineering, Seoul National University, San 56-1, Shilim-dong, Gwanak-gu, Seoul 151-744, Korea
Korean Journal of Chemical Engineering, January 2009, 26(1), 235-239(5), 10.1007/s11814-009-0039-4
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Abstract
The Guggenheim-Huggins-Miller (GHM) combinatorial factor is modified by introducing a factor in the pair probability of a hole-hole pair. The proposed contribution is combined with the expanded quasi-chemical contribution and tested against saturated vapor pressure and liquid density. The proposed model correlates experimental saturated liquid density better than a quasi-chemical nonrandom lattice fluid (QLF) model based on original GHM combinatorial factor. The optimized parameters show a quite different behavior compared with that of the QLF model and the relationships between the parameters of two models are discussed.
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References
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Paul JF, J. Chem. Phys., 9, 660 (1941)
Maurice LH, J. Chem. Phys., 9, 440 (1941)
Chang TS, Proc. R. Soc. Lond. A-Math. Phys. Sci., 169, 512 (1939)
Miller AR, Proceedings of the Cambridge Philosophical Society, 39, 54 (1943)
Nemirovsky AM, Bawendi MG, Freed KF, J. Chem. Phys., 87, 7272 (1987)
Lue L, Prausnitz JM, Macromolecules, 30(21), 6650 (1997)
Sanchez IC, Lacombe RH, J. Phys. Chem., 80, 2352 (1976)
Kleintjens LA, Koningsveld R, Colloid Polym. Sci., 258, 711 (1980)
High MS, Danner RP, AlChE J., 36, 1625 (1990)
Smirnova NA, Victorov AI, Fluid Phase Equilib., 34, 235 (1987)
You SS, Yoo KP, Lee CS, Fluid Phase Equilib., 93, 193 (1994)
Shin MS, Yoo KP, Lee CS, Kim H, Korean J. Chem. Eng., 23(3), 469 (2006)
Shin MS, Yoo KP, Lee CS, Kim H, Korean J. Chem. Eng., 23(3), 476 (2006)
Shin MS, Kim H, Fluid Phase Equilib., 246(1-2), 79 (2006)
Foreman KW, Freed KF, J. Chem. Phys., 102(11), 4663 (1995)
Neau E, Fluid Phase Equilib., 203(1-2), 133 (2002)
Shin MS, Kim H, Fluid Phase Equilib., 256(1-2), 27 (2007)
Kleinrahm R, Wagner W, J. Chem. Thermodyn., 18, 739 (1986)
Smith BD, Srivastava R, Thermodynamic data for pure compounds, Elsevier, Distributors for the U.S. and Canada, Elsevier Science Pub. Co. (1986)
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Daubert TE, Danner RP, Design Institute for Physical Property Data (U.S.), Physical and thermodynamic properties of pure chemicals: Data compilation, Hemisphere Pub. Corp., (1989)
Ihmels EC, Lemmon EW, Fluid Phase Equilib., 260(1), 36 (2007)
Braker W, Mossman AL, Matheson Company Inc., Matheson gas data book, Matheson (1980)
Wu J, Liu Z, Wang B, Pan J, J. Chem. Eng. Data, 49, 704 (2004)
Vargaftik NB, Vinogradov YK, Yargin VS, Handbook of physical properties of liquids and gases: Pure substances and mixtures, Begell House (1996)
