用分子动力学模拟方法研究汽液界面性质,在NVT系综中,以氩原子为对象,对长方形模拟盒中汽液平衡系统进行不同温度下的模拟计算.计算结果表明,汽液界面存在热毛细波.界面上的热涨落将使界面变宽,它不仅与界面张力有关,还与温度、界面的横截面积有关.可以把汽液界面上热毛细波的均分根涨落值,作为汽液界面的宽度和粗糙度的指标.
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