Skip to main content
Log in

Identification of kinetics of direct esterification reactions for PET synthesis based on a genetic algorithm

  • Published:
Korean Journal of Chemical Engineering Aims and scope Submit manuscript

Abstract

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.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

References

  • Bhaskar, V., Gupta, S. K. and Ray, A. K., “Simulation of an Industrial Finishing-Stage Polycondensation Reactor in the Poly(ethylene terephthalate) Manufacture”, The 8 APCChE Congress, Seoul, Korea, 59 (1999).

  • Besnoin, J. M. and Choi, K. Y., “Identification and Characterization of Reaction Byproducts in the Polymerization of Polyethylene Terephthalate”,J. Macromol. Sci. Rev. Macromol. Chem. Phys.,29(1), 55 (1989).

    Google Scholar 

  • Davis, L., “Genetic Algorithms and Simulated Annealing, Morgan Kaufmann”, Morgan Kaufmann, San Mateo, CA (1987).

    Google Scholar 

  • Deb, K., “Optimization for Engineering Design: Algorithms and Examples”, Prentice-Hall of India, New Delhi (1996).

    Google Scholar 

  • Flory, P. J., “Principles of Polymer Chemistry”, 1st ed., Cornell University Press, Ithaca, New York (1953).

    Google Scholar 

  • Goldberg, D. E., “Genetic Algorithms in Search, Optimization and Machine Learning”, Addison-Wesley, Reading, MA (1989).

    Google Scholar 

  • Harris, S. D., Elliott, L., Ingham, D. B., Pourkashanian, M. and Wilson, C. W., “The Optimization of Reaction Rate Parameters for Chemical Kinetic Modeling of Combustion using Genetic Algorithms”,Comput. Methods. Appl. Mech. Engrg.,190, 1065 (2000).

    Article  Google Scholar 

  • Holland, J. H., “Adaptation in Natural and Artificial Systems,” University of Michigan Press, Ann Arbor (1975).

    Google Scholar 

  • Hovenkamp, S. G. and Munting, J. P., “Formation of Diethylene Glycol as a Side Reaction during Production of Polyethylene of Polyethylene Terephthalate”,J. Polym. Sci. Part A-1,8, 679 (1970).

    Article  CAS  Google Scholar 

  • Immanuel, C. D. and Gupta, S. K., “Optimization of the First Stage Continuous Reactor-Sequence in Polyester Manufacture from Purified Terephthalic Acid”,J. Polym. Eng.,20(1), 51 (2000).

    CAS  Google Scholar 

  • Kang, C. K., Lee, B. C, Him, D. W. and Tremblay, D. A., “A Simulation Study on Continuous Direct Esterification Process for Polyethylene terephthalate) Synthesis”,J. Appl. Polym. Sci.,63,163 (1997).

    Article  CAS  Google Scholar 

  • Krevelen, D. W. van., “Properties of Polymers”, Elsevier, New York, 3rd ed., 109 (1990).

    Google Scholar 

  • Kumar, A., Sharma, S. N. and Gupta, S. K., “Optimization of the Polycondensation Stage of Poly(ethylene terephthalate) Reactors,”J. Appl. Polym. Sci.,29,1045 (1984).

    Article  CAS  Google Scholar 

  • Michalewicz, Z., “Genetic Algorithms+Data Structures=Evolution Programs”, Springer, Berlin, 3rd ed. (1996).

    Google Scholar 

  • Otton, J. and Ratton, S., “Investigation of the Formation of Polyethylene terephthalate) with Model Molecule: Kinetics and Mechanism of the Catalytic Esterification and Alcoholysis Reactions,”J. Polym. Sci.,26, 2183 (1998).

    Google Scholar 

  • Park, T. Y. and Froment, G. E., “A Hybrid Genetic Algorithm for the Estimation of Parameters in Detailed Kinetic Models,”Comp. Chem. Eng.,22, s103 (1998).

    Article  CAS  Google Scholar 

  • Polifke, W., Geng, W. and Dobbeling, K., “Optimization of Rate Coefficients for Simplified Reaction Mechanisms with Genetic Algorithms,”Combustion and Flame,113,119 (1998).

    Article  CAS  Google Scholar 

  • Ravindranath, K. and Mashelkar, B. A., “Modeling of Poly(ethylene terephthalate) Reactors: 4. A Continuous Esterification Process,”Polym. Eng. and Set,22(10), 610 (1982).

    Article  CAS  Google Scholar 

  • Ravindranath, K. and Mashelkar, B. A., “Polyethylene Terephthalate I. Chemistry, Thermodynamics and Transport Properties,”Chem. Eng. Sci.,41(9), 2197 (1986).

    Article  CAS  Google Scholar 

  • Reimschuessel, H. K., Debona, B. T. and Murthy, A. K. S., “Kinetics and Mechanism of the Formation of Glycol Esters: Benzoic Acid-Ethylene Glycol System,”J. Polym. Sci.,17, 3217 (1979).

    CAS  Google Scholar 

  • Yamada, T., “A Mathematical Model for a Continuous Esterification Process with Recycle Between Terephthalic Acid and Ethylene Glycol,”J. Appl. Polym. Sci.,45,1919 (1992).

    Article  CAS  Google Scholar 

  • Yamada, T., Imamura, Y. and Makimura, O., “A Mathematical Model for Computer Simulation of a Direct Continuous Esterification Process Between Terephthalic Acid and Ethylene Glycol: Part 1. Model Development,”Polym. Eng. and Sci.,25(12), 788 (1985).

    Article  CAS  Google Scholar 

  • Yeo, Y K., Cho, H. J., Park, W. H. and Moon, B. K., “Modeling and Simulation of a Wet Hemihydrate Phosphoric Acid Process,”Korean J. Chem. Eng.,13, 585 (1996).

    Google Scholar 

  • Yeo, Y K., Choo, J. O., Kim, M. K., Kim, K. S. and Chang, K. S., “Modeling and Simulation of a Sulfolane Extraction Process,”Korean J. Chem. Eng,15,90 (1998).

    Google Scholar 

  • Wolf, D. and Moros, R., “Estimating Rate Constants of Heterogeneous Catalytic Reactions Without Supposition of Rate Determining Surface Steps-An Application of a Genetic Algorithm,”Chem. Eng. Sci.,52(7), 475 (1997).

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Yeong-Koo Yeo.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Kim, JY., Kim, HY. & Yeo, YK. Identification of kinetics of direct esterification reactions for PET synthesis based on a genetic algorithm. Korean J. Chem. Eng. 18, 432–441 (2001). https://doi.org/10.1007/BF02698287

Download citation

  • Received:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF02698287

Key words

Navigation