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http://earchive.tpu.ru/handle/11683/15083| Title: | Thermodynamic Analysis of Benzene Alkylation with Ethylene |
| Authors: | Khlebnikova, Elena Sergeevna Bekker, Alexander Ivashkina, Elena Nikolaevna Dolganova, Irena Olegovna Yurev, Egor Mikhaylovich |
| Keywords: | алкилирование; этилбензол; термодинамика; переходные состояния; энергия активации; этилен |
| Issue Date: | 2015 |
| Publisher: | Elsevier |
| Citation: | Thermodynamic Analysis of Benzene Alkylation with Ethylene / E. S. Khlebnikova [et al.] // Procedia Chemistry. — 2015. — Vol. 15 : Chemistry and Chemical Engineering in XXI century (CCE 2015) : XVI International Scientific Conference dedicated to Professor L.P. Kulyov, 25-29 May 2015, Tomsk, Russia. — [P. 42-48]. |
| 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. |
| URI: | http://earchive.tpu.ru/handle/11683/15083 |
| Appears in Collections: | Материалы конференций |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| j.proche.2015.10.007.pdf | 379,38 kB | Adobe PDF | View/Open |
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