Kinetic non-reversibility of the cracking reactions and its accounting during mathematical modeling of industrial process
Электронный архив ТПУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Kinetic non-reversibility of the cracking reactions and its accounting during mathematical modeling of industrial process
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| Автор |
Nazarova, Galina Yurievna
Ivashkina, Elena Nikolaevna Shafran, T. Seytenova, G. Elubay, M. Dolganova, Irena Olegovna |
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| Тематика |
необратимость
крекинг математическое моделирование производственные процессы термодинамический анализ квантово-химические методы насыщенные углеводороды ароматические соединения каталитический крекинг |
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| Описание |
The paper presents the approach to the catalytic cracking modeling with consideration of the reactions' reversibility/non-reversibility depending on the current concentrations and the cracking temperature. The thermodynamic analysis of the reactions using the quantum-chemical methods allows formulating a hydrocarbons conversion scheme at the thermal equilibrium temperature between the feedstock and the catalyst. The magnitude of the current chemical attraction of reactions is a criterion of thermodynamic non-reversibility of reactions, which is determined at each stage of the calculation. It has been shown that the change in the concentrations of conversion participants and cracking temperature have a significant effect on the catalytic cracking reactions. Thus, the cyclization reactions are non-reversible up to 512.9 °C (A[rij]=6.46 kJ/mol) during the processing of feedstock with saturated hydrocarbons to aromatics ratio is 2.1 and with further temperature increasing the contribution of reverse reactions rises. Also with increasing the saturated hydrocarbons to aromatics ratio from 2.1 to 3.2 in the feedstock, the equilibrium of the reaction shifts to low temperatures from 512.9 to 508.9 °C (A[rij]=6.497 kJ/mol). It is connected with the fact that intensification of the exotermic reactions (alkylation, condensation, coke formation) under certain conditions is possible. It is an important factor in terms of catalyst deactivation and has an effect on the desired product yield.
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| Дата |
2019-02-27T08:19:53Z
2019-02-27T08:19:53Z 2019 |
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| Тип |
Conference Paper
Published version (info:eu-repo/semantics/publishedVersion) Conference paper (info:eu-repo/semantics/conferencePaper) |
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| Идентификатор |
Kinetic non-reversibility of the cracking reactions and its accounting during mathematical modeling of industrial process / G. Yu. Nazarova [et al.] // Journal of Physics: Conference Series. — Bristol : IOP Publishing, 2019. — Vol. 1145 : Prospects of Fundamental Sciences Development (PFSD-2018) : XV International Conference of Students and Young Scientists, 24-27 April 2018, Tomsk, Russian Federation : [proceedings]. — [012055, 9 p.].
http://earchive.tpu.ru/handle/11683/52908 10.1088/1742-6596/1145/1/012055 |
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| Язык |
en
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| Связанные ресурсы |
Journal of Physics: Conference Series. Vol. 1145 : Prospects of Fundamental Sciences Development (PFSD-2018). — Bristol, 2019.
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| Права |
Open access (info:eu-repo/semantics/openAccess)
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| Издатель |
IOP Publishing
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