Vapor-liquid equilibria of the two-dimensional Lennard-Jones fluid(s)

Vapor-liquid equilibria of the two-dimensional Lennard-Jones fluid(s)
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DOI:
10.1063/1.460477
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发表时间:
1991-04
影响因子:
4.4
通讯作者:
B. Smit;D. Frenkel
B. Smit;D. Frenkel
中科院分区:
化学2区
文献类型:
--
作者:
B. Smit;D. Frenkel

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给出了二维Lennard - Jones流体在Gibbs系综中的蒙特卡罗模拟。我们考虑了完整的Lennard - Jones势和截断(在2.5σ处)和移位的势。结果表明,临界温度在很大程度上取决于电势截断的细节。这些差异绝不是小的。
Monte Carlo simulations in the Gibbs ensemble are presented for the two‐dimensional Lennard‐Jones fluids. We have considered the full Lennard‐Jones potential and the truncated (at 2.5σ) and shifted potential. It is shown that the critical temperature depends largely on the details of the truncation of the potential. These differences are by no means small.