4.7 Article

Dependence of the liquid-vapor surface tension on the range of interaction: A test of the law of corresponding states

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 130, 期 5, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/1.3072156

关键词

density functional theory; Lennard-Jones potential; liquid-vapour transformations; Monte Carlo methods; phase diagrams; surface tension

资金

  1. European Space Agency [ESA AO-2004-070]
  2. ARCHIMEDES of the Communaute Francaise de Belgique [ARC 2004-09]

向作者/读者索取更多资源

The validity of the principle of corresponding states is investigated for the case of a potential with more than one intrinsic length scale. The planar surface tension of coexisting liquid and vapor phases of a fluid of Lennard-Jones atoms is studied as a function of the range of the potential using both Monte Carlo simulations and density functional theory (DFT). The interaction range is varied from r(c)(*)=2.5 to r(c)(*)=6 and the surface tension is determined for temperatures ranging from T-*=0.7 up to the critical temperature in each case. The simulation results are consistent with previous studies and are shown to obey the law of corresponding states even though the potential has two intrinsic length scales. It is further shown that the corresponding states principle can also be used to enhance the accuracy of some, but not all, DFT calculations of the surface tension. The results show that most of the cutoff dependence of the surface tension can be explained as a result of changes in the cutoff-dependent phase diagram and that corresponding states can be a useful tool for explaining differences between theory and simulation.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据