气体化学反应速率的DSMC方法

Study on Gaseous Chemical Reaction Rate Using Direct Monte Carlo Simulation Method

为预报化学反应过程，应用ＤＳＭＣ方法研究了双原子分子的离解反应，讨论了高温情况下（Ｔ～Ｅａ／ｋ）采用由实验测定得到的反应速率与气体温度间Ａｒｒｈｅｎｉｕｓ经验关系式的可靠性问题，分析了振动热非平衡效应对于离解反应速率的影响，给出了由ＤＳＭＣ方法得到的离解反应速率与气体温度的关系曲线。

This paper uses direct Monte Carlo simulation method to predict the process of gaseous chemical reaction. The paper studies the dissociation reaction of gaseous molecules, discusses the reliability of extrapolating chemical reaction rate from lowertemperature region to higher-temperature region through Arrhenius empirical relationship obtained by experiments under lower-temperature condition, analyses the effects of thermal nonequilibrium on chemical reaction rate, and presents the relation between chemical reaction rate and gas temperature obtained through direct Monte Carlo simulation method.