MODIFIED RESPONSE SURFACE METHODOLOGY(MRSM) FOR PHASE EQUILIBRIUM-THEORETICAL BACKGROUND

Park JC; Ha DM; Kim MG

Korean Journal of Chemical Engineering, Vol.13, No.2, 115-122, March, 1996

The effect of molecular interaction energy among different molecules in the mixed solutions significantly depends upon the size of individual molecule size and molecular arrangement. In order to compensate these effects on the existing method, a new method of representing the relationship of temperature and compositions of each phase(vapor and liquid phases in equilibrium) and azeotropic mixture is proposed. The optimized models of the RSM(response surface methodology) and MRSM(modified response surface methodology) are briefly described. The applications of these models to the solution thermodynamics are also explained.

Keywords:Modified Response Surface Methodology;Statistical Molecular Thermodynamics;Advanced Computer Simulation Engineering;Cacoon-type Quaternary Azeotropic Mixture;Multiple Parameters Multiple Terms (MPMT) Equations

[References]

Abram DS, Prausnitz JM, AIChE J., 21, 116 (1975)
Box GEP, Biometrics, 10, 16 (1954)
Chao KC, Hougen OA, Chem. Eng. Sci., 7, 246 (1958)
Fredenslund A, Gmehling J, Rasmussen P, "Vapor-Liquid Equilibrium Using UNIFAC," Elsevier, Amsterdam (1979)
Gmehling J, Onken U, Arlt W, "Vapor-Liquid Equilibrium Data Collection," Chemistry Data Series, DECHEMA, Germany (1981)
Ha DM, Park JC, HWAHAK KONGHAK, 29(3), 284 (1991)
Hill WJ, Hunter WG, Technometric, 8, 571 (1966)
Hilm AK, Ellis SRM, Barker PE, Br. Chem. Eng., 15, 1321 (1970)
Hu Y, Liu HL, Prausnitz JM, Fluid Phase Equilib., 95, 73 (1994)
Kim MG, Ha DM, Park JC, Korean J. Chem. Eng., 12(1), 39 (1995)
King MB, "Phase Equilibrium in Mixtures," Pergamon Press, London (1969)
Kojima K, Tochigi K, "Prediction of Vapor-Liquid Equilibria by the ASOG Method," Elsevier, Amsterdam (1979)
Lee LL, Starling KE, Fluid Phase Equilib., 21, 77 (1985)
Lee LL, "Molecular Thermodynamics of Nonideal Fluids," Butterworths, Boston (1988)
Lu BCY, Li JCM, Ting TW, Ind. Eng. Chem., 51, 219 (1959)
Malesinski W, "Azetropy and Other Theoretical Problems of Vapor-Liquid Equilibrium," Polish Scientific Publishers, Warszawa (1965)
Nagata I, J. Chem. Eng. Data, 7, 461 (1962)
Park JC, "Prediction of the Activity Coefficients for Non-Ideal Liquid Mixtures," The 183rd Meeting of European Federation of Chem. Engineers at Helsinki, Finland, June (1977)
Park JC, "Estimation of the Activity Coefficients for Non-Ideal Liquid Mixtures," Theses Collection, Kyung Hee Univ., 9, 555 (1979)
Park JC, "Estimation of the Activity Coefficients for Non-Ideal Liquid Mixtures: Effect of Variables of TPTT Equations on Response Model of Molecular Interaction Energy Parameters of Two and Three Component Systems," Theses Collection, Kyung Hee Univ., 11, 139 (1982)
Park JC, "Estimation of Activity Coefficients for Non-Ideal Liquid Mixtures: Selection of Response Surface Model by Means of Response Surface Methodology for Multicomponent System," PACHEC Proceeding, 2, 340 (1983)
Park JC, "Estimation of Multicomponent Phase Surface by Means of Response Surface Methodology and Comparison of Fitting for 3 & 4 Component Systems," Kyung Hee Univ. Publication, Seoul, Korea (1985)
Park JC, "The Partial Molar Interaction Energy of the TPTT Equation," Theses Collection, Kyung Hee Univ., 15, 239 (1986)
Park JC, "Representation of Multiple Phase Response Surface by Means of Computer Graphics," Kyung Hee Univ. Publication, Seoul, Korea (1987)
Park JC, Kim MG, HWAHAK KONGHAK, 26(2), 194 (1988)
Park JC, "Mandang Park, Jong-Chul, Ph.D., Full Professor, 60th Birthday, Anniversary Theses Collection," Munyangsa, Seoul, Korea (1988)
Park JC, Ha DM, Kim MG, "Estimation Methodology of Multicomponent Phase Equilibria by Group-Group and Interaction Parameters," Proc. 5th APCChE Congress, 4a-14, Kuala Lumpur. Malaysia (1990)
Park JC, "Theory and Practice of Modified Response Surface Methodology in Phase Equilibrium," 68th Annual Meeting of the Korean Chemical Society, Changwon, Korea (1991)
Park JC, "Mandang Park, Jong Chul, Ph.D. Honorable Retirement Commemoration Theses Collection," Munyangsa, Seoul, Korea (1992)
Prausnitz JM, Lichtenthaler RN, deAzevedo EG, "Molecular Thermodynamics of Fluid Phase Equilibria," 2nd Ed., Prentice-Hall Inc., Englewood Cliffs, N.J. (1986)
Redlich O, Kister AT, J. Chem. Phys., 15, 849 (1947)
Reid RC, Praustniz JM, Poling PE, "The Properties of Gases and Liquids," 3rd Ed., McGraw-Hill, New York (1986)
Renon H, Prausnitz JM, AIChE J., 14, 135 (1968)
Shin HS, Park JC, "Comparison of Methods of Estimating VLE by Means of the Wilson, NRTL, UNIQUAC Equations for Ternary Systems by Computer Graphics," Theses Collection, Kyung Hee Univ., 17, 497 (1988)
Wilson GM, J. Am. Chem. Soc., 86, 127 (1964)
Wisniak J, Tamir A, J. Chem. Eng. Data, 22, 253 (1977)

[Referenced By]

[1] Abram DS, Prausnitz JM, AIChE J., 21, 116 (1975)

[2] Box GEP, Biometrics, 10, 16 (1954)

[3] Chao KC, Hougen OA, Chem. Eng. Sci., 7, 246 (1958)

[4] Fredenslund A, Gmehling J, Rasmussen P, "Vapor-Liquid Equilibrium Using UNIFAC," Elsevier, Amsterdam (1979)

[5] Gmehling J, Onken U, Arlt W, "Vapor-Liquid Equilibrium Data Collection," Chemistry Data Series, DECHEMA, Germany (1981)

[6] Ha DM, Park JC, HWAHAK KONGHAK, 29(3), 284 (1991)

[7] Hill WJ, Hunter WG, Technometric, 8, 571 (1966)

[8] Hilm AK, Ellis SRM, Barker PE, Br. Chem. Eng., 15, 1321 (1970)

[9] Hu Y, Liu HL, Prausnitz JM, Fluid Phase Equilib., 95, 73 (1994)

[10] Kim MG, Ha DM, Park JC, Korean J. Chem. Eng., 12(1), 39 (1995)

[11] King MB, "Phase Equilibrium in Mixtures," Pergamon Press, London (1969)

[12] Kojima K, Tochigi K, "Prediction of Vapor-Liquid Equilibria by the ASOG Method," Elsevier, Amsterdam (1979)

[13] Lee LL, Starling KE, Fluid Phase Equilib., 21, 77 (1985)

[14] Lee LL, "Molecular Thermodynamics of Nonideal Fluids," Butterworths, Boston (1988)

[15] Lu BCY, Li JCM, Ting TW, Ind. Eng. Chem., 51, 219 (1959)

[16] Malesinski W, "Azetropy and Other Theoretical Problems of Vapor-Liquid Equilibrium," Polish Scientific Publishers, Warszawa (1965)

[17] Nagata I, J. Chem. Eng. Data, 7, 461 (1962)

[18] Park JC, "Prediction of the Activity Coefficients for Non-Ideal Liquid Mixtures," The 183rd Meeting of European Federation of Chem. Engineers at Helsinki, Finland, June (1977)

[19] Park JC, "Estimation of the Activity Coefficients for Non-Ideal Liquid Mixtures," Theses Collection, Kyung Hee Univ., 9, 555 (1979)

[20] Park JC, "Estimation of the Activity Coefficients for Non-Ideal Liquid Mixtures: Effect of Variables of TPTT Equations on Response Model of Molecular Interaction Energy Parameters of Two and Three Component Systems," Theses Collection, Kyung Hee Univ., 11, 139 (1982)

[21] Park JC, "Estimation of Activity Coefficients for Non-Ideal Liquid Mixtures: Selection of Response Surface Model by Means of Response Surface Methodology for Multicomponent System," PACHEC Proceeding, 2, 340 (1983)

[22] Park JC, "Estimation of Multicomponent Phase Surface by Means of Response Surface Methodology and Comparison of Fitting for 3 & 4 Component Systems," Kyung Hee Univ. Publication, Seoul, Korea (1985)

[23] Park JC, "The Partial Molar Interaction Energy of the TPTT Equation," Theses Collection, Kyung Hee Univ., 15, 239 (1986)

[24] Park JC, "Representation of Multiple Phase Response Surface by Means of Computer Graphics," Kyung Hee Univ. Publication, Seoul, Korea (1987)

[25] Park JC, Kim MG, HWAHAK KONGHAK, 26(2), 194 (1988)

[26] Park JC, "Mandang Park, Jong-Chul, Ph.D., Full Professor, 60th Birthday, Anniversary Theses Collection," Munyangsa, Seoul, Korea (1988)

[27] Park JC, Ha DM, Kim MG, "Estimation Methodology of Multicomponent Phase Equilibria by Group-Group and Interaction Parameters," Proc. 5th APCChE Congress, 4a-14, Kuala Lumpur. Malaysia (1990)

[28] Park JC, "Theory and Practice of Modified Response Surface Methodology in Phase Equilibrium," 68th Annual Meeting of the Korean Chemical Society, Changwon, Korea (1991)

[29] Park JC, "Mandang Park, Jong Chul, Ph.D. Honorable Retirement Commemoration Theses Collection," Munyangsa, Seoul, Korea (1992)

[30] Prausnitz JM, Lichtenthaler RN, deAzevedo EG, "Molecular Thermodynamics of Fluid Phase Equilibria," 2nd Ed., Prentice-Hall Inc., Englewood Cliffs, N.J. (1986)

[31] Redlich O, Kister AT, J. Chem. Phys., 15, 849 (1947)

[32] Reid RC, Praustniz JM, Poling PE, "The Properties of Gases and Liquids," 3rd Ed., McGraw-Hill, New York (1986)

[33] Renon H, Prausnitz JM, AIChE J., 14, 135 (1968)

[34] Shin HS, Park JC, "Comparison of Methods of Estimating VLE by Means of the Wilson, NRTL, UNIQUAC Equations for Ternary Systems by Computer Graphics," Theses Collection, Kyung Hee Univ., 17, 497 (1988)

[35] Wilson GM, J. Am. Chem. Soc., 86, 127 (1964)

[36] Wisniak J, Tamir A, J. Chem. Eng. Data, 22, 253 (1977)