氩流体冷凝过程的分子动力学模拟

来源 :计算机与应用化学 | 被引量 : 0次 | 上传用户:haijiehahaha
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冷凝系数为冷凝流率与碰撞流率之比,是气体冷凝过程的重要性质。本文采用分子动力学方法,探讨了不同温度(95.5、104.3、113.3、123.2)K下,氩流体气液两相平衡体系中气相的冷凝过程。模拟得到了氩流体气液相主体范围、Gibbs界面位置及界面厚度;并分别以气相主体与界面区的分界面gz及Gibbs界面作为碰撞界面,统计得到了氩流体的冷凝系数,并与文献值进行了比较。模拟结果表明,在相同温度条件下,以Gibbs界面为碰撞界面得到的碰撞粒子数目明显高于以gz为碰撞界面得到的碰撞粒子数目。当采用︱zg︳界面作为碰撞界面时,冷凝系数1α随着温度的变化规律与文献值一致,均随着温度的升高而降低,变化范围在0.822与0.596之间;但以Gibbs界面作为碰撞界面时,所得冷凝系数2α基本上与温度无关,其值在0.335左右,且2α明显小于1α。 The condensation coefficient is the ratio of the condensation flow rate to the collision flow rate and is an important property of the gas condensation process. In this paper, the molecular dynamics method is used to investigate the condensation process of gas phase in the gas-liquid two-phase equilibrium system of argon fluid at different temperatures (95.5, 104.3, 113.3, 123.2) K. The gas-liquid bulk area, the Gibbs interface and the interface thickness of the argon fluid were simulated. The gz and Gibbs interfaces between the gas-phase main body and the interface were used as the collision interfaces respectively, and the condensing coefficient of the argon fluid was obtained. Compared. The simulation results show that at the same temperature, the number of collision particles with Gibbs interface as the collision interface is obviously higher than the number of collision particles with gz as the collision interface. When | ︱ zg_ interface is used as the interface of collision, the change law of condensation coefficient 1α with the temperature is in accordance with the literature value, and decreases with the increase of temperature, and the variation range is between 0.822 and 0.596. However, At the interface, the resulting condensation coefficient 2α is essentially temperature independent and has a value of about 0.335 and a 2α apparently less than 1α.
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