期刊
INTERNATIONAL JOURNAL OF THERMOPHYSICS
卷 36, 期 1, 页码 25-43出版社
SPRINGER/PLENUM PUBLISHERS
DOI: 10.1007/s10765-014-1764-4
关键词
Equation of state; Helmholtz energy; Lennard-Jones truncated and shifted; Molecular simulation; Thermodynamic properties
资金
- Deutsche Forschungsgemeinschaft (DFG)
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 temperatures and pressures . High accuracy and good extrapolation behavior of the equation of state are established.
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