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DSMC Implementation of Compact State-Specific N_2+O Dissociation and Exchange Models

机译：紧凑的特定于状态的N_2 + O离解和交换模型的DSMC实现

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摘要

This paper addresses the implementation of compact state-specific reaction models, based on ab-initio data, into the DSMC framework. While previous studies on the state-specific dissociation (SSD) model concentrated on O_2-O collisions, the N_2-O dissociation is covered in this work. The DSMC implementation of the new state-specific exchange (SSE) model for N_2-O collisions is also considered. 0-D DSMC results for the equilibrium and nonequilibrium reaction rate coefficients are compared against experimental and third-party model results available in the literature. Similarly to what was previously observed for O_2-O, we found that the DSMC implementation of SSD and SSE models for N_2-O accurately reproduces the corresponding analytical rates. Based on 0-D heat bath and thermochemical relaxation calculations, it was also found that the SSD and SSE models share the same qualitative features. The investigated air Shockwave calculations indicated that the formation of atomic oxygen plays a major role on the mole fraction distributions and that the differences between total collision energy (TCE) and state-specific nonequilibrium rates for N_2+O→NO+O are larger under low temperature conditions.
机译：本文讨论了基于Ab-initio数据的紧凑状态特定反应模型在DSMC框架中的实现。尽管先前对状态特定解离（SSD）模型的研究主要集中在O_2-O碰撞，但本工作涵盖了N_2-O离解。还考虑了针对N_2-O冲突的新的特定于状态的交换（SSE）模型的DSMC实现。将平衡和非平衡反应速率系数的0-D DSMC结果与文献中提供的实验和第三方模型结果进行比较。与以前对O_2-O观察到的情况类似，我们发现DSMC对N_2-O的SSD和SSE模型的实现可以准确地再现相应的分析速率。基于0维热浴和热化学弛豫计算，还发现SSD和SSE模型具有相同的定性特征。空气冲击波的研究表明，原子氧的形成对摩尔分数分布起主要作用，并且在较低的温度下，N_2 + O→NO + O的总碰撞能（TCE）与状态特定的非平衡速率之间的差异较大。温度条件。

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