The Haar-Shenker-Kohler equation
- 10 June 1986
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 58 (2), 395-399
- https://doi.org/10.1080/00268978600101251
Abstract
Haar and Shenker and later Kohler and Haar related the residual Helmholtz energy A res of a realistic fluid to that of a hard body fluid by A res/RT = Bρ + A H res/RT - B Hρ, where B and B H are the second virial coefficients. By comparison with the simulation data of Adams and of Yao et al. for a Lennard-Jones fluid we show that the Haar-Shenker-Kohler equation yields very accurate chemical potentials and pressures for the gas up to densities ρσ3 = 0·2. The chemical potential equation of Powles is also discussed.Keywords
This publication has 19 references indexed in Scilit:
- Investigation of the chemical potential by molecular dynamics simulationMolecular Physics, 1985
- Influence of intermolecular potential parameters on orthobaric properties of fluids consisting of spherical and linear moleculesMolecular Physics, 1984
- Monte Carlo simulation of the grand canonical ensembleMolecular Physics, 1982
- The liquid-vapour coexistence line by computer simulation à la WidomMolecular Physics, 1980
- Liquid-vapour co-existence of dipolar hard spheresMolecular Physics, 1979
- Calculation of the entropy of liquid chlorine and bromine by computer simulationMolecular Physics, 1979
- Calculating the high-temperature vapour line by Monte CarloMolecular Physics, 1979
- Calculating the low temperature vapour line by Monte CarloMolecular Physics, 1976
- Monte Carlo grand canonical ensemble calculation in a gas-liquid transition region for 12-6 ArgonJournal of Computational Physics, 1975
- Phase Transitions of the Lennard-Jones SystemPhysical Review B, 1969