Quasi-State-Specific QCT Method for Calculating the Dissociation Rate of Nitrogen in Thermal Non-Equilibrium
نویسندگان
چکیده
The dissociation of nitrogen was studied using a quasi-classical trajectory (QCT) analysis in the context of calculating the dissociation rate surface for a dense range of temperatures for use in computational fluid dynamics (CFD) applications. By sampling rovibrational states from a Boltzmann distribution but uniformly sampling the relative speed, the dissociation rate was calculated for translational and rovibrational temperatures between 8000 K and 20000 K. The justification for this approach was verified by analyzing different sampling techniques. It was found that uniformly sampling the relative speed increased the uncertainty of the thermally averaged dissociation rate, but the same QCT results could be used for a large range of temperatures. This is in contrast to Monte Carlo sampling techniques, where a new batch of trajectories must be simulated for each desired temperature. To generate the dissociation rate surface, 500 million trajectories were simulated, and the non-equilibrium rates were compared to other models and experimental data, generally showing good agreement.
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