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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| Corporate Authors: | , , |
| Outros autores: | , , , |
| Summary: | 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 |
| Idioma: | inglés |
| Publicado: |
2014
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| Subjects: | |
| Acceso en liña: | http://dx.doi.org/10.1016/j.proche.2014.10.072 http://earchive.tpu.ru/handle/11683/35526 |
| Formato: | MixedMaterials Electrónico Capítulo de libro |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=639536 |
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| 200 | 1 | |a Comparison between Alkylation and Transalkylation Reactions Using ab Initio Approach |f A. Nurmakanova [et al.] | |
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| 300 | |a Title screen | ||
| 320 | |a [References: р. 435-436 (15 tit.)] | ||
| 330 | |a 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. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
| 461 | 0 | |0 (RuTPU)RU\TPU\network\3889 |t Procedia Chemistry | |
| 463 | 0 | |0 (RuTPU)RU\TPU\network\3890 |t Vol. 10 : Chemistry and Chemical Engineering in XXI century |o XV International Scientific Conference dedicated to Professor L. P. Kulyov, 26-29 May 2014, Tomsk, Russia |f National Research Tomsk Polytechnic University (TPU) |v [P. 430-436] |d 2014 | |
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| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a алкилирование | |
| 610 | 1 | |a трансалкилирование | |
| 610 | 1 | |a электрофильное замещение | |
| 610 | 1 | |a квантовая химия | |
| 610 | 1 | |a переходные состояния | |
| 610 | 1 | |a cumene | |
| 610 | 1 | |a alkylation | |
| 610 | 1 | |a transalkylation | |
| 610 | 1 | |a electrophilic substitution | |
| 610 | 1 | |a quantum chemistry | |
| 610 | 1 | |a transition state | |
| 610 | 1 | |a Wheland intermediate | |
| 701 | 1 | |a Nurmakanova |b A. | |
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