Thermochemistry and Kinetics of C2H3+ 02Reactions
- 1 March 1992
- journal article
- research article
- Published by Informa UK Limited in Combustion Science and Technology
- Vol. 82 (1-6), 151-168
- https://doi.org/10.1080/00102209208951817
Abstract
Kinetics and products are predicted for reactions of C2H3 + 02 by using a new Q-formalism of Bimolecular Quantum-RRK. theory. Association forms a chemically activated adduct, ( C2H3OO), which may isomerize one or more times to other hot isomers before decomposing or being stabilized. At low temperatures and pressures, HCO + H2CO are predicted to be formed without thermal intermediates, as observed by Gutman and co-workers. At atmospheric pressure, however, collisional stabilization of C2H3OO and its subsequent thermal reactions can be important. Glyoxal + H and C2H2 + HO, are predicted to be the next most important products of C2H3 + 02 association. All of these rate constants decrease significantly at high temperatures where ( C2H3 OO)* reverts to reactants preferentially. Above 1500 K, Ihe dominant products could be C2H2 + H02 formed directly by pressure-dependent H-atom transfer.Keywords
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