Abstract
The one-dimensional problem was studied. A constant-cross-section tube was filled with gases A and B at a fixed initial temperature. The reactants were diluted with the lightest inert gas E (He). After the ignition of the reacting gas, the rapid heating at one closed end of the tube to a certain temperature results in the initiation of a reversible reaction involving molecules with substantially different weights, A + B ai 2 C (an analog of the only important reaction O + O3 ai 2 O2 under the simulation conditions), with the energy thresholds for the forward and reverse reactions. The latter resulted in realistic values of the rate constant and the heat release for this reaction. All calculations were performed by the direct simulation Monte Carlo method with variable weight factors on a multiprocessor computer. It was found that the reaction rate ahead of the detonation front is much higher than the equilibrium rate behind the front.
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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1767–1771, September, 2011.
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Kulikov, S.V., Ternovaya, O.N. Simulation of gas detonation in a constant-cross-section channel initiated by instantaneous heating at its closed end for an O+O3+He mixture. Russ Chem Bull 60, 1797–1801 (2011). https://doi.org/10.1007/s11172-011-0271-z
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DOI: https://doi.org/10.1007/s11172-011-0271-z