Identification of Kinetics of Direct Esterification Reactions for PET Synthesis Based on a Genetic Algorithm

Ju-Youl Kim; Hee-Young Kim; Yeong-Koo Yeo

Korean Journal of Chemical Engineering, Vol.18, No.4, 432-441, July, 2001

DOI10.1007/BF02698287 Export Citation

Identification of Kinetics of Direct Esterification Reactions for PET Synthesis Based on a Genetic Algorithm

Ju-Youl Kim, Hee-Young Kim¹, and Yeong-Koo Yeo^†

Department of Chemical Engineering, Hanyang University, 17 Haengdang-dong, Sungdong-ku, Seoul 133-791, Korea
¹Korea Research Inst. of Chemical Technology, Yusung, Daejeon 306-600, Korea

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In this study we propose a method to identify the kinetics of direction esterification reactions for polyethylene terephthalate (PET) based on a genetic algorithm. The reaction rate parameters could be identified successfully by using a genetic algorithm and plant data. The effects of key operating variables (temperature, pressure, monomer feed ratio and residence time) on the reactor performance were also investigated. It was observed that the reactor performance strongly depends on the degree of dissolution of the solid terephthalic acid (TPA) in the reaction mixtures.

Keywords:Direct Esterification;Polymerization Reactor Modeling;Reaction Rate Parameters;Genetic Algorithm

[References]

Bhaskar V, Gupta SK, Ray AK, "Simulation of an Industrial Finishing-Stage Polycondensation Reactor in the Poly(ethylene terephthalate) Manufacture," The 8(th) APCChE Congress, Seoul, Forea, 59 (1999)
Besnoin JM, Choi KY, J. Macromol. Sci. Rev. Macromol. Chem. Phys., 29(1), 55 (1989)
Davis L, "Genetic Algorithms and Simulated Annealing, Morgan Kaufmann," Morgan Kaufmann, San Mateo, CA (1987)
Deb K, "Optimization for Engineering Design: Algorithms and Examples," Prentice-Hall of India, New Delhi (1996)
Goldberg DE, "Genetic Algorkthms in Search, Optimization and Machine Learning," Addison-Wesley, Reading, MA (1989)
Harris SD, Elliott L, Ingham DB, Pourkashanian M, Wilson CW, Comp. Methods. Appl. Mech. Eng, 190, 1065 (2000)
Holland JH, "Adaptation in Natural and Artificial Systems," University of Michigan Press, Ann Arbor (1975)
Hovenkamp SG, Munting JP, J. Polym. Sci. A: Polym. Chem., 8, 679 (1970)
Immanuel CD, Gupta SK, J. Polym. Eng., 20(1), 51 (2000)
Kang CK, Lee BC, Ihm DW, Tremblay DA, J. Appl. Polym. Sci., 63(2), 163 (1997)
Krevelen DW, "Properties of Polymers," Elsevier, New York, 3(rd) ed, 109 (1990)
Kumar A, Sharma SN, Gupta SK, J. Appl. Polym. Sci., 29, 1045 (1984)
Michalewicz Z, "Genetic Algorkthms+Data Structures=Evolution Programs," Springer, Berlin, 3(rd) ed (1996)
Otton J, Ratton S, J. Polym. Sci., 26, 2183 (1998)
Park TY, Froment GF, Comput. Chem. Eng., 22, S103 (1998)
Polifke W, Geng WQ, Dobbeling K, Combust. Flame, 113(1-2), 119 (1998)
Ravindranath K, Mashelkar BA, Polym. Eng. Sci., 22(10), 610 (1982)
Ravindranath K, Mashelkar BA, Chem. Eng. Sci., 41(9), 2197 (1986)
Reimschuessel HK, Debona BT, Murthy AKS, J. Polym. Sci., 17, 3217 (1979)
Yamada T, J. Appl. Polym. Sci., 45, 1919 (1992)
Yamada T, Imamura Y, Makimura O, Polym. Eng. Sci., 25(12), 788 (1985)
Cho HJ, Yeo YK, Park WH, Moon BK, Korean J. Chem. Eng., 13(6), 585 (1996)
Choo JO, Yeo YK, Kim MK, Kim KS, Chang KS, Korean J. Chem. Eng., 15(1), 90 (1998)
Wolf D, Moros R, Chem. Eng. Sci., 52(7), 1189 (1997)
Flory PJ, "Principles of Polymer Chemistry," 1st ed., Cornell University Press, New York (1953)

[Referenced By]

[Related Articles]

[1] Bhaskar V, Gupta SK, Ray AK, "Simulation of an Industrial Finishing-Stage Polycondensation Reactor in the Poly(ethylene terephthalate) Manufacture," The 8(th) APCChE Congress, Seoul, Forea, 59 (1999)

[2] Besnoin JM, Choi KY, J. Macromol. Sci. Rev. Macromol. Chem. Phys., 29(1), 55 (1989)

[3] Davis L, "Genetic Algorithms and Simulated Annealing, Morgan Kaufmann," Morgan Kaufmann, San Mateo, CA (1987)

[4] Deb K, "Optimization for Engineering Design: Algorithms and Examples," Prentice-Hall of India, New Delhi (1996)

[5] Goldberg DE, "Genetic Algorkthms in Search, Optimization and Machine Learning," Addison-Wesley, Reading, MA (1989)

[6] Harris SD, Elliott L, Ingham DB, Pourkashanian M, Wilson CW, Comp. Methods. Appl. Mech. Eng, 190, 1065 (2000)

[7] Holland JH, "Adaptation in Natural and Artificial Systems," University of Michigan Press, Ann Arbor (1975)

[8] Hovenkamp SG, Munting JP, J. Polym. Sci. A: Polym. Chem., 8, 679 (1970)

[9] Immanuel CD, Gupta SK, J. Polym. Eng., 20(1), 51 (2000)

[10] Kang CK, Lee BC, Ihm DW, Tremblay DA, J. Appl. Polym. Sci., 63(2), 163 (1997)

[11] Krevelen DW, "Properties of Polymers," Elsevier, New York, 3(rd) ed, 109 (1990)

[12] Kumar A, Sharma SN, Gupta SK, J. Appl. Polym. Sci., 29, 1045 (1984)

[13] Michalewicz Z, "Genetic Algorkthms+Data Structures=Evolution Programs," Springer, Berlin, 3(rd) ed (1996)

[14] Otton J, Ratton S, J. Polym. Sci., 26, 2183 (1998)

[15] Park TY, Froment GF, Comput. Chem. Eng., 22, S103 (1998)

[16] Polifke W, Geng WQ, Dobbeling K, Combust. Flame, 113(1-2), 119 (1998)

[17] Ravindranath K, Mashelkar BA, Polym. Eng. Sci., 22(10), 610 (1982)

[18] Ravindranath K, Mashelkar BA, Chem. Eng. Sci., 41(9), 2197 (1986)

[19] Reimschuessel HK, Debona BT, Murthy AKS, J. Polym. Sci., 17, 3217 (1979)

[20] Yamada T, J. Appl. Polym. Sci., 45, 1919 (1992)

[21] Yamada T, Imamura Y, Makimura O, Polym. Eng. Sci., 25(12), 788 (1985)

[22] Cho HJ, Yeo YK, Park WH, Moon BK, Korean J. Chem. Eng., 13(6), 585 (1996)

[23] Choo JO, Yeo YK, Kim MK, Kim KS, Chang KS, Korean J. Chem. Eng., 15(1), 90 (1998)

[24] Wolf D, Moros R, Chem. Eng. Sci., 52(7), 1189 (1997)

[25] Flory PJ, "Principles of Polymer Chemistry," 1st ed., Cornell University Press, New York (1953)