Temperature Dependence of the Oxidation of Hydrogen with Sulfur Dioxide

P. S. Gukasyan; Гукасян П. С.; E. M. Makaryan; Макарян Э. М.; A. A. Arutyunyan; Арутюнян А. А.; A. G. Davtyan; Давтян А. Г.

doi:10.31857/S0044453723080083

Temperature Dependence of the Oxidation of Hydrogen with Sulfur Dioxide

作者: Gukasyan P.S.¹, Makaryan E.M.¹, Arutyunyan A.A.¹, Davtyan A.G.¹
隶属关系:
1. Nalbandyan Institute of Chemical Physics, National Academy of Sciences of Armenia
期: 卷 97, 编号 8 (2023)
页面: 1200-1206
栏目: ФИЗИЧЕСКАЯ ХИМИЯ ПРОЦЕССОВ ГОРЕНИЯ И ВЗРЫВА
##submission.dateSubmitted##: 15.10.2023
##submission.datePublished##: 01.08.2023
URL: https://bakhtiniada.ru/0044-4537/article/view/136676
DOI: https://doi.org/10.31857/S0044453723080083
EDN: https://elibrary.ru/QUVYUB
ID: 136676

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详细

An experimental study is performed of the mechanism of sulfur dioxide–hydrogen interaction (4Н2 + 2SО2 → S2 + 4H2О) at temperatures of 623, 673, 723, and 773 K and a pressure of 198 Torr. The mechanism is analyzed via mathematical modeling. It is found to be a chain reaction of hydrogen oxidation with sulfur dioxide, which results in the formation of molecular sulfur (S2). The process is characterized by negative Gibbs free energy ΔG723 = −49.950 kcal/mol. The potential energy surface of the (HOSO + HOSO) system is studied by various means of quantum chemistry, and the thermodynamic parameters of the НОSO + НОSO → SO + SO2 + Н2О reaction are determined. A new mechanism of the reaction, supplemented by elementary acts, is discussed. Good agreement is found between energies of activation determined experimentally and calculated using data from our numerical kinetic analysis.

关键词

sulfur, sulfur dioxide, chain reaction, kinetic analysis

参考

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