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本文运用分子动力学模拟方法对氩过热液相中的气相成核过程进行了研究。模拟结果表明液相中形成气泡经历三个过程:一是诱导过程,系统压力基本维持不变;二是气化核心形成,产生大量小气核,系统压力快速上升;三是小气核聚合形成大气核,系统压力缓慢增大至平衡。模拟得到了液相中的气相成核率,较经典成核理论(CNT)预测的气相成核率大8个数量级。随着模拟系统密度以及过热度的增大,液相中的气相成核率也随之增大,与CNT的结论一致。
In this paper, molecular dynamics simulation was used to study the gas phase nucleation in superheated argon liquid. The simulation results show that the formation of bubbles in the liquid phase undergoes three processes: one is the induction process, the pressure of the system is basically unchanged; the other is the formation of gasification nuclei, which produces a large number of small gas nuclei and the pressure of the system rises rapidly; , The system pressure slowly increased to balance. The gas phase nucleation rate in the liquid phase was obtained by simulation, which is 8 orders of magnitude larger than that predicted by the classical nucleation theory (CNT). With the increase of density and superheat of the simulation system, the nucleation rate of gas phase in the liquid phase also increases, which is consistent with the conclusion of CNT.