Kinetic study and simulation of the precopolytransesterification step in the copoly(ethylene-polyoxyethylene terephthalate) production process

Authors

  • Cornelio De La Cruz-Guerra,

    1. Universidad Nacional Autónoma de México, Facultad de Química, División de Estudios de Posgrado, Cd. Universitaria 04510 México, D. F. México
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  • Gustavo A. García-De La Mora,

    1. Universidad Nacional Autónoma de México, Facultad de Química, División de Estudios de Posgrado, Cd. Universitaria 04510 México, D. F. México
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  • M. Javier Cruz-Gómez

    Corresponding author
    1. Universidad Nacional Autónoma de México, Facultad de Química, División de Estudios de Posgrado, Cd. Universitaria 04510 México, D. F. México
    • Universidad Nacional Autónoma de México, Facultad de Química, División de Estudios de Posgrado, Cd. Universitaria 04510 México, D. F. México
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Abstract

The kinetics of the precopolytransesterification step for the production process of the copoly(ethylene-polyoxyethylene terephthalate), COPEPOET, has been analyzed. The prepolytransesterification step involves two competitive parallel reactions generating the same by-product, ethylene glycol: 1. Prehomopolytransesterification reaction of bis (2-hydroxyethylene terephthalate), BHET, with itself and 2. Precopolytransesterification reaction of BHET with poly(oxyethylene), POE. The kinetic constants of both reactions, BHET with BHET and BHET with POE, were calculated. The analysis was made as follows: 1. A kinetic model was developed in order to calculate the kinetic constants kH and kC of the prehomopolytransesterification and precopolytransesterification reactions; 2. The simulation of the precopolytransesterification step was carried out by integrating the differential equations, which describe the prepolytransesterification step. A fourth-order Runge-Kutta method was used for this integration. Several values that fall within the interval of 0.05 to 1.5 were assigned to the rate constant ratio kH/kC value, a set of kH/kC value, a set of kH and kC values were obtained. The parameters of the Arrhenius equation A and E were evaluated by means of a multiple regression analytical method; and 3. By comparison between theoretical and experimental data the best kH/kC value was obtained. The kH value was found to be several times smaller than that of kC.

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