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TERNARY LIQUID-LIQUID PHASE BEHA- VIOR BY DECORATED-UNIQUAC
Korean Journal of Chemical Engineering, September 1996, 13(5), 439-447(9), 10.1007/BF02705991
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Abstract
To investigate the applicability of the decorated-UNIQUAC model for multicomponent multi- phase liquid mixtures, equilibrium calculations were carried out for a variety of model ternary systems, and some typical predictions were introduced. The predicted phase behavior was less limited and more complicated than that of UNIQUAC without disagreement with experimental observations on the progressional behavior of tie lines. The binodal predictions were found very sensitive with respect to the progressional behavior of tie lines. The binodal predictions were found very sensitive with respect to the model parameters, as expected in condensed phases. The general features of nonisland type of ternary LLE were excellently reproduced by the decorated-UNIQUAC.
References
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Sadus RJ, AIChE J., 40(8), 1376 (1994)
Sandler SI, "Models for Thermodynamics and Phase Equilibria Calculations," Univ. of Delaware, Newark (1993)
Skjold-Jorgensen S, Rasmussen P, Fredenslund AA, Chem. Eng. Sci., 35(12B), 2389 (1980)
Treybal RE, Weber LD, Daley JF, Ind. Eng. Chem., 38, 817 (1946)
Van Konnynenberg PH, Scott RL, Royal Soc. London Phil. Trans. A, 298, 1442 (1980)
Varhegyl G, Eon CH, Ind. Eng. Chem. Fundam., 16(2), 182 (1977)
Vause CA, Walker JS, Phys. Lett., 90A(8), 419 (1982)
Wegstein JH, Commun. A.C.M., 1, 9 (1955)
Wheeler JC, J. Chem. Phys., 62(2), 433 (1975)
Wheeler JC, Anderson GR, J. Chem. Phys., 73(11), 5778 (1980)
Widom B, J. Chem. Phys., 46(9), 3324 (1967)
Wilson GM, J. Am. Chem. Soc., 86, 127 (1964)
Wisniak J, Chem. Eng. Sci., 39(1), 111 (1984)
Zeman L, Patterson D, Macromolecules, 5(4), 513 (1972)
Zollweg JA, Mulholland GW, J. Chem. Phys., 57(3), 1021 (1972)
Anderson GR, Wheeler JC, J. Chem. Phys., 70(3), 1326 (1979)
Anderson GR, Wheeler JC, J. Chem. Phys., 69(7), 3403 (1978)
Anderson GR, Wheeler JC, J. Chem. Phys., 69(5), 2082 (1978)
Barker JA, J. Chem. Phys., 20(10), 1526 (1952)
Barker JA, Fock W, Discuss. Faraday Soc., 15, 188 (1953)
Becker F, Richter P, Fluid Phase Equilib., 49, 157 (1989)
Burkhardt TW, vanLeeuwen JMJ, "Real-Space Renormalization," Topics in Curr. Phys., Vol. 30, Springer-Verlag, N.Y. (1982)
Cheluget EL, Weber ME, Vera JH, Chem. Eng. Sci., 48(8), 1415 (1993)
Elrod MJ, Saykally RJ, Chem. Rev., 94(7), 1975 (1994)
Fisher ME, Phys. Rev., 113(4), 969 (1959)
Francis AW, "Liquid-Liquid Equilibriums," Wiley, N.Y. (1963)
Furman D, Griffiths RB, Phys. Rev., A, 17, 1139 (1978)
Goldstein RE, J. Chem. Phys., 83(3), 1246 (1985)
Goldstein RE, J. Chem. Phys., 84(6), 3367 (1986)
Goldstein RE, Walker JS, J. Chem. Phys., 78(3), 1492 (1983)
Hand DB, J. Phys. Chem., 34, 1960 (1930)
Hirschfelder J, Stevenson D, Eyring H, J. Chem. Phys., 5, 896 (1937)
Hino T, Lambert SH, Soane DS, Prausnitz JM, AIChE J., 39(5), 837 (1993)
Hu Y, Liu H, Sloane DS, Prausnitz JM, Fluid Phase Equilib., 67, 65 (1991)
Joesten M, Schaad L, "Hydrogen Bonding," Dekker, N.Y. (1974)
Jung HY, Jhon MS, Korean J. Chem. Eng., 1(1), 59 (1984)
Kemeny S, Manczinger J, Skjold-Jorgensen S, Toth K, AIChE J., 28(1), 20 (1982)
Kim YC, "Liquid-Liquid Equilibria in Some Water-Pyridine Derivative Systems Using a Decorated Lattice Model," M.S. Thesis, Dept. of Chem. Eng., KAIST (1985)
Kim YC, "Closed-loop LLE Calculation by Lattice Decoration and Renomalization Transformation," Ph.D. Dissertation, Dept. of Chem. Eng., KAIST (1988)
Kim YC, Kim JD, Korean J. Chem. Eng., 3(2), 99 (1986)
Kim YC, Kim JD, Fluid Phase Equilib., 41, 229 (1988)
Kim Yc, Kim JD, Ban YB, Fluid Phase Equilib., 53, 331 (1989)
Kwon YS, Park J, "A Robust Algorithm for Vapor-Liquid Equilibrium Calculations Using a Cubic Equation of State," Personal Communication (1995)
Lang JC, Morgan RD, J. Chem. Phys., 73(11), 5849 (1980)
Maurer G, Prausnitz JM, Fluid Phase Equilib., 2, 91 (1978)
McMahon PD, Glandt ED, Walker JS, Chem. Eng. Sci., 43(10), 2561 (1988)
Meijering JL, Philips Res. Rep., 5, 333 (1950)
Meijering JL, Philips Res. Rep., 6, 183 (1951)
Mermin ND, Phys. Rev. Lett., 26(4), 169 (1971)
Modell M, Reid RC, "Thermodynamics and Its Applications," 2nd ed., Prentice-Hall, N.Y. (1983)
Mollerup J, Fluid Phase Equilib., 7(2), 121 (1981)
Mulholland GW, Rehr JJ, J. Chem. Phys., 60, 1297 (1974)
Mulholland GW, Zollweg JA, Levelt Sengers JMH, J. Chem. Phys., 62, 2535 (1975)
Pimentel G, McClellan AL, "The Hydrogen Bond," Freeman, San Francisco (1960)
Prausnitz JM, Anderson TF, Grens EA, Eckert CA, Hsieh R, O'Connell JP, "Computer Calculations for Multicomponent Vapor-Liquid and Liquid-Liquid Equilibria," Prentice-Hall, N.J. (1980)
Prausnitz JM, Lichtenthaler RN, deAzevedo EG, "Molecular Thermodynamics of Fluid-Phase Equilibria," 2nd ed., Prentice-Hall, N.J. (1986)
Reichl LE, "A Modern Course in Statistical Physics," Edward Arnold Publishers, London (1980)
Renon H, Prausnitz JM, AIChE J., 14(1), 135 (1968)
Reynolds PJ, Klein W, Stanley HE, J. Phys. C: Solid State Phys., 10, L167 (1977)
Reynolds PJ, Stanley HE, Klein W, J. Phys. A: Math. Gen., 11(8), L199 (1978)
Reynolds PJ, Stanley HE, Klein W, Phys. Rev., B, Condens. Matter, 21(3), 1223 (1980)
Robard A, Patterson D, Macromolecules, 10(5), 1021 (1977)
Rowlinson JS, Swinton FL, "Liquid and Liquid Mixtures," 3rd ed., Butterworth Sci., London (1959)
Sadus RJ, AIChE J., 40(8), 1376 (1994)
Sandler SI, "Models for Thermodynamics and Phase Equilibria Calculations," Univ. of Delaware, Newark (1993)
Skjold-Jorgensen S, Rasmussen P, Fredenslund AA, Chem. Eng. Sci., 35(12B), 2389 (1980)
Treybal RE, Weber LD, Daley JF, Ind. Eng. Chem., 38, 817 (1946)
Van Konnynenberg PH, Scott RL, Royal Soc. London Phil. Trans. A, 298, 1442 (1980)
Varhegyl G, Eon CH, Ind. Eng. Chem. Fundam., 16(2), 182 (1977)
Vause CA, Walker JS, Phys. Lett., 90A(8), 419 (1982)
Wegstein JH, Commun. A.C.M., 1, 9 (1955)
Wheeler JC, J. Chem. Phys., 62(2), 433 (1975)
Wheeler JC, Anderson GR, J. Chem. Phys., 73(11), 5778 (1980)
Widom B, J. Chem. Phys., 46(9), 3324 (1967)
Wilson GM, J. Am. Chem. Soc., 86, 127 (1964)
Wisniak J, Chem. Eng. Sci., 39(1), 111 (1984)
Zeman L, Patterson D, Macromolecules, 5(4), 513 (1972)
Zollweg JA, Mulholland GW, J. Chem. Phys., 57(3), 1021 (1972)