Dicumyl Peroxide Thermal Decomposition in Cumene: Development of a Kinetic Model

A kinetic model is developed to simulate the thermal decomposition of dicumyl peroxide (DCP) in cumene with and without oxygen in the reacting system, based on a reaction network that is comprised of a set of 51 reactions. An optimization procedure is adopted to obtain the best estimates for most of...

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Bibliographic Details
Published in:Industrial & engineering chemistry research 2012-06, Vol.51 (22), p.7493-7499
Main Authors: Di Somma, Ilaria, Marotta, Raffaele, Andreozzi, Roberto, Caprio, Vincenzo
Format: Article
Language:English
Subjects:
Applied sciences
Chemical engineering
Computer simulation
Cumene
Dicumyl peroxide
Exact sciences and technology
Initial conditions
Kinetics, Catalysis, and Reaction Engineering
Mathematical models
Optimization
Reaction kinetics
Thermal decomposition
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Summary:A kinetic model is developed to simulate the thermal decomposition of dicumyl peroxide (DCP) in cumene with and without oxygen in the reacting system, based on a reaction network that is comprised of a set of 51 reactions. An optimization procedure is adopted to obtain the best estimates for most of the related kinetic parameters, few of which are available in the literature. The model is successfully validated by simulating the concentration profiles of all the species participating in the decomposition of DCP in cumene, under varying initial conditions, using previously best-estimated values of the kinetic parameters.
ISSN:0888-5885
1520-5045
DOI:10.1021/ie201659a