Equation of State for the Lennard-Jones Fluid

• Published in: Journal of physical and chemical reference data Vol. 45; no. 2; pp. 1 - 36
• Main Authors: Thol, Monika, Rutkai, Gabor, Köster, Andreas, Lustig, Rolf, Span, Roland, Vrabec, Jadran
• Format: Journal Article
• Language: English
• Published: New York American Institute of Physics 01.06.2016
• Subjects: Correlation analysis; Density; Fluid dynamics; Helmholtz equations; Molecular physics; Simulation; Temperature effects; Helmholtz energy; equation of state; thermodynamic properties; Lennard-Jones model fluid; molecular simulation

An empirical equation of state correlation is proposed for the Lennard-Jones model fluid. The equation in terms of the Helmholtz energy is based on a large molecular simulation data set and thermal virial coefficients. The underlying data set consists of directly simulated residual Helmholtz energy...