Article describing a detailed chemical kinetic model for oxidation of acetylene at intermediate temperatures and high pressure that was developed and evaluated experimentally.
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Article describing a detailed chemical kinetic model for oxidation of acetylene at intermediate temperatures and high pressure that was developed and evaluated experimentally.
Physical Description
43 p.
Notes
Abstract: A detailed chemical kinetic model for oxidation of acetylene at intermediate temperatures and high pressure has been developed and evaluated experimentally. The rate coefficients for the reactions of C₂H₂ with HO₂ and O₂ were investigated, based on the recent analysis of the potential energy diagram for C₂H₃ + O₂ by Goldsmith et al. and on new ab initio calculations, respectively. The C₂H₂ + HO₂ reaction involves nine pressure‐ and temperature‐dependent product channels, with formation of triplet CHCHO being dominant under most conditions. The barrier to reaction for C₂H₂ + O₂ was found to be more than 50 kcal mol−1 and predictions of the initiation temperature were not sensitive to this reaction. Experiments were conducted with C₂H₂/O₂ mixtures highly diluted in N₂ in a high‐pressure flow reactor at 600–900 K and 60 bar, varying the reaction stoichiometry from very lean to fuel‐rich conditions. Model predictions were generally in satisfactory agreement with the experimental data. Under the investigated conditions, the oxidation pathways for C₂H₂ are more complex than those prevailing at higher temperatures and lower pressures. Acetylene is mostly consumed by recombination with H to form vinyl (reducing conditions) or with OH to form a CHCHOH adduct (stoichiometric to lean conditions). Both C₂H₃ and CHCHOH then react primarily with O₂. The CHCHOH + O₂ reaction leads to formation of significant amounts of glyoxal (OCHCHO) and formic acid (HOCHO), and the oxidation chemistry of these intermediates is important for the overall reaction.
Publication Title:
Journal of Infectious Diseases and Medical Microbiology
Volume:
48
Issue:
11
Pages:
43
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Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Hashemi, Hamid; Alzueta, María U.; Gao, Yide; Marshall, Paul et al.Experimental and Kinetic Modeling Study of Acetylene Oxidation at High Pressure,
article,
August 29, 2016;
(https://digital.library.unt.edu/ark:/67531/metadc1706551/:
accessed February 17, 2025),
University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu;
crediting UNT College of Arts and Sciences.