An accurate Van der Waals-type equation of state for the Lennard-Jones fluid
An accurate Van der Waals-type equation of state for the Lennard-Jones fluid
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Lennard-Jones 流体的精确范德华型状态方程
DOI：
10.1007/bf01443399
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发表时间：
1996
影响因子：
2.2
通讯作者：
W. Wagner
中科院分区：
文献类型：
--
作者：
M. Mecke;A. Müller;J. Winkelmann;J. Vrabec;J. Fischer;R. Span;W. Wagner
提出了一种新的状态方程(EOS)，用于描述Lennard Jones流体在较宽的温度和密度范围内的热力学性质。状态方程以广义范德华方程F=FU+FV的形式写成。其中Fu是硬体贡献，FA是抗引力色散力贡献。FH的表达式与混合Barker-Henderson微扰理论密切相关。基于维里系数和经过严格评估的计算机模拟数据，利用Setzmann Wagner优化程序完成了OFA的构造。与Johnson等人的状态方程的比较。表明汽液共存性质的描述有了改进，pvT数据。更奇怪的是，卡路里的特性。与这部作品大部分完成后出现的科拉法和内兹贝达的状态方程相比，仍有大约30%的差异。
A new equation of state (EOS) is proposed for the Helmholtz energyF of the Lennard Jones fluid which represents the thermodynamic properties over a wide range of temperatures and densities. The EOS is written in the form of a generalized van der Waals equation.F =Fu +Fv. WhereFu is a hard body contribution andFA an anttractive dispersion force contribution. The expression forFH is closely related to the hybrid Barker Henderson pertubation theory. The construction ofFA is accomplished with the Setzmann Wagner optimization procedure on the basis of virial coefficients and critically assessed computer simulation data. A comparison with the EOS of Johnson et al. shows improvement in the description of the vapor liquid coexistence properties, thepvT data. and in peculiar, of the calorie properties. A comparison with the EOS of Kolafa and Nezbeda which appeared after the bulk of this work was finished shows still by about 30%.