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Title: 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
Authors: Benyahia, Brahim
Latifi, M. Abderrazak
Fonteix, Christian
Pla, Fernand
Nacef, Saci
Keywords: Emulsion copolymerization
Chain-transfer agent
Parameter identification
Model validation
Genetic algorithm
Issue Date: 2010
Publisher: © Elsevier
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.
Abstract: 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.
Description: 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
Version: Accepted for publication
DOI: 10.1016/j.ces.2009.09.036
URI: https://dspace.lboro.ac.uk/2134/15290
Publisher Link: http://dx.doi.org/10.1016/j.ces.2009.09.036
ISSN: 0009-2509
Appears in Collections:Published Articles (Chemical Engineering)

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