Methods for Modeling the Process of High-Temperature Conversion of Natural Gas

Methods for Modeling the Process of High-Temperature Conversion of Natural Gas Научная публикация

Журнал

Theoretical Foundations of Chemical Engineering
ISSN: 0040-5795 , E-ISSN: 1608-3431

Вых. Данные

Год: 2025, Том: 59, Номер: 6, Страницы: 1584–1601 Страниц : 18 DOI: 10.1134/S0040579526600828

Ключевые слова

methane conversion, acetylene, carbon structures, gas chemical processes, numerical methods, quantum chemical methods, molecular dynamics, machine learning

Авторы

Lgotina D.A. ¹ , Sukhachev R.A. ¹ , Chubarova A.A. ¹ , Sergeicheva D.A. ¹ , Stepanova L.N. ¹ , Malinovsky Yu.G. ¹ , Prudnikov P.V. ¹ , Lavrenov A.V. ¹

Организации

1	Center for New Chemical Technologies, Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Institute of Catalysis of the Siberian Branch of the Russian Academy of Sciences

Информация о финансировании (1)

Министерство науки и высшего образования Российской Федерации

FWUR-2024-0039

This review article presents a description of modern methods for modeling the kinetics of high-temperature oxygen-free conversion of methane to acetylene. An analysis of published studies devoted to both fundamental aspects of the reaction mechanism and applied methods of computer modeling is conducted. Particular attention is paid to modern computational methods, such as numerical methods for solving systems of differential equations, quantum chemical methods, and machine learning methods. The influence of key process parameters on the yield of the target product and the selectivity of the reaction is considered. It is shown that the combination of traditional methods of chemical kinetics with modern computational technologies offers opportunities for optimizing laboratory and, subsequently, industrial processes for producing acetylene from natural gas.

Lgotina D.A. , Sukhachev R.A. , Chubarova A.A. , Sergeicheva D.A. , Stepanova L.N. , Malinovsky Y.G. , Prudnikov P.V. , Lavrenov A.V.
Methods for Modeling the Process of High-Temperature Conversion of Natural Gas
Theoretical Foundations of Chemical Engineering. 2025. V.59. N6. P.1584–1601. DOI: 10.1134/S0040579526600828

Льготина Д.А. , Сухачев Р.А. , Чубарова А.А. , Сергеичева Д.А. , Степанова Л.Н. , Малиновский Ю.Г. , Прудников П.В. , Лавренов А.В.
Методы моделирования процесса высокотемпературного превращения природного газа
Теоретические основы химической технологии. 2025. Т.59. №5. С.156–182. DOI: 10.7868/S3034605325050119 РИНЦ OpenAlex

Поступила в редакцию:	30 мая 2025 г.
Принята к публикации:	20 авг. 2026 г.

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