- PII
- 10.31857/S0044453723080083-1
- DOI
- 10.31857/S0044453723080083
- Publication type
- Status
- Published
- Authors
- Volume/ Edition
- Volume 97 / Issue number 8
- Pages
- 1200-1206
- Abstract
- 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.
- Keywords
- сера сернистый ангидрид цепная реакция кинетический анализ
- Date of publication
- 12.09.2025
- Year of publication
- 2025
- Number of purchasers
- 0
- Views
- 9
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