This article presents a methodology for kinetic parameter estimation which is
based on standard optimization methods. The parameter estimation procedure is
applied to the example of modelling of non-catalytic transesterification
reaction, based on laboratory experiments performed under elevated pressure.
The kinetic model employed in this study consists of three consecutive and
parallel reversible reactions of the second order, with six kinetic
constants. The influence of the mass transfer effects was considered as well.
The best results were obtained by Genetic Algorithm method. The application
of this method resulted in kinetic parameters with improved accuracy in
predicting concentrations of important reaction intermediates, i.e.
diglycerides and monoglycerides. Activation energies of kinetic parameters
obtained by the Genetic Algorithm method are in very good agreement with
theoretical values determined by molecular orbital calculations. [Projekat
Ministarstva nauke Republike Srbije, br. III-45019]
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