Kinetic modeling of carbon dioxide valorization with epoxides

Conference Dates

June 19-24, 2016


The reaction between carbon dioxide and epoxides using a non-metallic catalytic system can produce cyclic carbonates with excellent yields. The activation of the chemical system can occur in two ways: activation of epoxide or activation of carbon dioxide at the first step. A kinetic investigation of epichlorohydrin carbonate synthesis from epichlorohydrin and carbon dioxide was performed. The mass transfer, the kinetic of reaction and the activation of the chemical system was included in the analysis. A kinetic model was developed based on the reaction mechanism and the mass transfer phenomena. The quasi steady state assumption was considered on intermediate species and its results were compared with the detailed model. The optimization of the kinetic parameters estimated was performed by using a genetic algorithm in the model, the results obtained were in agreement with the experimental data.

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