Corresponding states law and molecular dynamics simulations of the Lennard-Jones fluid
Corresponding states law and molecular dynamics simulations of the Lennard-Jones fluid
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Lennard-Jones 流体的对应态定律和分子动力学模拟
DOI：
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发表时间：
2001
期刊：
影响因子：
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通讯作者：
V. Zhakhovskii
中科院分区：
文献类型：
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作者：
D. O. Dunikov;S. P. Malyshenko;V. Zhakhovskii
用分子动力学方法研究了Lennard-Jones流体在气液平衡时的相图。研究了势截止对模型系统性质的影响问题。对于不同的截止半径值，计算了共存相的物理性质和临界参数。结果表明，由临界温度和密度缩放的各种截止值所获得的结果一致，这意味着由Lennard-Jones势的不同修改所描述的流体在热力学上是相似的，即，遵守相应的国家法律。
Phase diagram of a Lennard-Jones fluid at liquid-gas equilibrium is studied by molecular dynamics simulations. The problem of potential cut-off influence on the properties of the model system is investigated. For several values of the cut-off radius, the physical properties of coexisting phases and critical parameters are calculated. It is shown that the results obtained for various cut-offs scaled by the critical temperature and density coincide, which means that fluids described by different modifications of the Lennard-Jones potential are thermodynamically similar, i.e., obey a corresponding states law.