907 resultados para chemical reaction kinetics


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We have calculated the Hugoniot properties of shocked nitromethane based on the improved Tsien's equation of state (EOS) that optimized by "exact" numerical molecular dynamic data at high temperatures and pressures. Comparison of the calculated results of the improved Tsien's EOS with the existed experimental data and the direct simulations show that the behavior of the improved Tsien's EOS is very good in many aspects. Because of its simple analytical form, the improved Tsien's EOS can be prospectively used to study the condensed explosive detonation coupling with chemical reaction.

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In this study, the Euler-Euler (E-E) and Euler-Lagrange (E-L) models designed for the same chemical mechanism of heterogeneous reactions were used to predict the performance of a typical sudden-expanding coal combustor. The results showed that the current E-E model underestimated the coal burnout rate because the particle temperature fluctuation on char combustion is not adequately considered. A comparison of the E-E and E-L simulations showed the underestimation of heterogeneous chemical reaction rates by the E-E model. (C) 2010 Elsevier Ltd. All rights reserved.