Thermodynamic Analysis of Benzene Alkylation with Ethylene
- Khlebnikova, Elena
- Bekker, Alexander
- Ivashkina, Elena
- Dolganova, Irena
- Yurev, Egor
Publication date
December 2015
DOI Publisher
The Authors. Published by Elsevier B.V.Abstract
AbstractThermodynamic 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
Add to ORKG