本文采用分子动力学模拟方法对湿空气两相平衡问题进行了研究.根据气液相平衡理论,建立了湿空气相平衡模型.水分子、空气分子的相互作用分别采用TIP4P势函数和L-J势函数,水分子与空气分子的相互作用采用L-J势函数.模拟中选取的水分子数为5488,空气分子数为512.模拟研究了湿空气相平衡过程两相中各成分的变化规律,模拟发现气液界面处存在空气分子富集现象,其浓度高于气相和液相的.基于此模型可以确定温度、压力等对气相含湿量和液相溶解度的影响.
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