Equation of State for the Lennard-Jones Truncated and Shifted Model Fluid
Equation of State for the Lennard-Jones Truncated and Shifted Model Fluid
复制标题
Lennard-Jones 截断且平移模型流体的状态方程
DOI：
10.1007/s10765-014-1764-4
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发表时间：
2015
影响因子：
2.2
通讯作者：
R. Lustig
中科院分区：
文献类型：
--
作者：
M. Thol;G. Rutkai;R. Span;J. Vrabec;R. Lustig
针对 Lennard-Jones 模型流体建立了状态方程，并进行了截断和平移。基础数据集包含 706 个状态点的热力学属性，包括压力、残余内能、残余内能的一阶体积导数以及作为温度和密度函数的残余等容热容。状态方程在亥姆霍兹能量方面是明确的，允许通过微分确定任何热力学性质。它对于温度和压力有效。建立了状态方程的高精度和良好的外推行为。
An equation of state is developed for the Lennard-Jones model fluid, truncated and shifted at. The underlying dataset contains thermodynamic properties at 706 state points including pressure, residual internal energy, first volume derivative of the residual internal energy, and residual isochoric heat capacity as a function of temperature and density. The equation of state is explicit in terms of the Helmholtz energy, allowing the determination of any thermodynamic property by differentiation. It is valid for temperaturesand pressures. High accuracy and good extrapolation behavior of the equation of state are established.