Article ID Journal Published Year Pages File Type
240291 Procedia Chemistry 2015 7 Pages PDF
Abstract

Thermodynamic and kinetic regularities of benzene alkylation with ethylene in the presence of aluminium chloride with the methods of quantum chemistry were defined. The method used in this study is Semi-empirical method based on Neglecting of Diatomic Overlap approximation at PM3 level. All obtained data will be used for the mathematical model development of the considered process possessing high predictive potential.

Related Topics
Physical Sciences and Engineering Chemical Engineering Chemical Engineering (General)