[논문]Rovibrational Energy Transitions and Coupled Chemical Reaction Modeling of H+H2 and He+H2 in DSMC

Kim, Jae Gang

doi:10.5139/ijass.2015.16.3.347

Rovibrational Energy Transitions and Coupled Chemical Reaction Modeling of H+H2 and He+H2 in DSMC 원문보기

International journal of aeronautical and space sciences, v.16 no.3, 2015년, pp.347 - 359

Kim, Jae Gang (Department of Aerospace System Engineering, Sejong University)

Abstract ▼ AI-Helper

A method of describing the rovibrational energy transitions and coupled chemical reactions in the direct simulation Monte Carlo (DSMC) calculations is constructed for $H(^2S)+H_2(X^1{\Sigma}_g)$ and $He(^1S)+H_2(X^1{\Sigma}_g)$. First, the state-specific total cross sections for each rovibrational states are proposed to describe the state-resolved elastic collisions. The state-resolved method is constructed to describe the rotational-vibrational-translational (RVT) energy transitions and coupled chemical reactions by these state-specific total cross sections and the rovibrational state-to-state transition cross sections of bound-bound and bound-free transitions. The RVT energy transitions and coupled chemical reactions are calculated by the state-resolved method in various heat bath conditions without relying on a macroscopic properties and phenomenological models of the DSMC. In nonequilibrium heat bath calculations, the state-resolved method are validated with those of the master equation calculations and the existing shock-tube experimental data. In bound-free transitions, the parameters of the existing chemical reaction models of the DSMC are proposed through the calibrations in the thermochemical nonequilibrium conditions. When the bound-free transition component of the state-resolved method is replaced by the existing chemical reaction models, the same agreement can be obtained except total collision energy model.

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참고문헌 (28)

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Rovibrational Energy Transitions and Coupled Chemical Reaction Modeling of H+H2 and He+H2 in DSMC 원문보기

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Rovibrational Energy Transitions and Coupled Chemical Reaction Modeling of H+H2 and He+H2 in DSMC 원문보기

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