Comparison between Alkylation and Transalkylation Reactions Using ab Initio Approach; Procedia Chemistry; Vol. 10 : Chemistry and Chemical Engineering in XXI century
| Parent link: | Procedia Chemistry Vol. 10 : Chemistry and Chemical Engineering in XXI century.— 2014.— [P. 430-436] |
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| Enti autori: | , , |
| Altri autori: | , , , |
| Riassunto: | Title screen This study concerns thermodynamic and kinetic regularities of benzene alkylation with propylene and diisopropylbenzene transalkylation by investigating reaction mechanism. For each step, thermodynamic parameters, such as pre-exponential factor and activation energy were determined. Ab initio approach was used for this purpose. Also effects of solvation and ions formation were taken into account. Finally, comparative analysis of two processes was made. Режим доступа: по договору с организацией-держателем ресурса |
| Lingua: | inglese |
| Pubblicazione: |
2014
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| Soggetti: | |
| Accesso online: | http://dx.doi.org/10.1016/j.proche.2014.10.072 http://earchive.tpu.ru/handle/11683/35526 |
| Natura: | Elettronico Capitolo di libro |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=639536 |