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Emulsion copolymerization of styrene and butyl acrylate in the presence of a chain transfer agent. Part 1: modelling and experimentation of batch and fedbatch processes

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journal contribution
posted on 22.07.2014, 13:25 by Brahim Benyahia, M. Abderrazak Latifi, Christian Fonteix, Fernand Pla, Saci Nacef
This paper deals with the development of a mathematical model for emulsion copolymerization of styrene and butyl acrylate carried out in the presence of n-dodecyl mercaptan as chain transfer agent (CTA). The model consisted of a system of differential algebraic equations in which the population balances are based on a new approach that reduces significantly the number of equations involved and the corresponding computational time. Most of the unknown kinetic and thermodynamic parameters of the model were estimated from experimental measurements using a stochastic optimization method based on a genetic algorithm. The results showed a fairly good agreement between model predictions and experiments. The model was then successfully validated through additional experiments carried out in batch and fedbatch reactors and clearly showed that the model was able to predict the time-evolution of overall conversion, amounts of each residual monomer, number and weight average molecular weights of the resulting copolymers and average diameters of the corresponding latex particles for different operating conditions, mainly CTA concentration and reaction temperature. The model was finally used to investigate and confirm the effects of CTA concentration, previously observed by several authors, on the kinetics of this polymerization process and on the main properties of the resulting macromolecules and latex particles.

History

School

  • Aeronautical, Automotive, Chemical and Materials Engineering

Department

  • Chemical Engineering

Published in

Chemical Engineering Science

Volume

65

Issue

2

Pages

850 - 869

Citation

BENYAHIA, B. ... et al, 2010. Emulsion copolymerization of styrene and butyl acrylate in the presence of a chain transfer agent. Part 1: modelling and experimentation of batch and fedbatch processes. Chemical Engineering Science, 65 (2), pp.850-869.

Publisher

© Elsevier

Version

AM (Accepted Manuscript)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Publication date

2010

Notes

This is the author’s version of a work that was accepted for publication in Chemical Engineering Science. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published at: http://dx.doi.org/10.1016/j.ces.2009.09.036

ISSN

0009-2509

Language

en

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