Research Reactor Services Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400085, India.
J Chem Phys. 2011 Sep 28;135(12):124710. doi: 10.1063/1.3633475.
A double well type Helmholtz free energy density functional and a model density profile for a two phase vapor-liquid system are used to obtain the size-dependent interfacial properties of the vapor-liquid interface at coexistence condition along the lines of van der Waals and Cahn and Hilliard density functional formalism of the interface. The surface tension, temperature-density curve, density profile, and thickness of the interface of Lennard-Jones fluid droplet-vapor equilibrium, as predicted in this work are reported. The planar interfacial properties, obtained from consideration of large radius of the liquid drop, are in good agreement with the results of other earlier theories and experiments. The same free energy model has been tested by solving the equations numerically, and the results compare well with those from the use of model density profile.
采用双阱型亥姆霍兹自由能密度泛函和双相汽液系统的模型密度分布，沿范德瓦尔斯和卡恩-希利尔界面密度泛函形式，获得共存条件下蒸汽-液体界面的尺寸相关界面性质。本文报道了 Lennard-Jones 液滴-蒸汽平衡的表面张力、温度-密度曲线、密度分布和界面厚度的预测结果。从考虑较大的液滴半径出发，得到的平面界面性质与其他早期理论和实验结果吻合较好。通过数值求解方程，对相同的自由能模型进行了测试，结果与模型密度分布的结果吻合较好。
