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<b>Abstract</b>— <p>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.</p>

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

  • 期刊论文

  • 发表日期：

    2025年12月1日

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

摘要

Abstract—

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.