| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 240291 | Procedia Chemistry | 2015 | 7 Pages |
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.
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