THE LENNARD-JONES FLUID REVISITED - NEW THERMODYNAMIC DATA AND NEW EQUATION OF STATE

The Lennard-Jones fluid appeared as a natural benchmark during the work on the project aimed at utilizing the rigorous statistical mechanical results for practical equation of state calculations for real fluids. As already reported, however, the so far available molecular simulation data and analytical equations of state were found unsatisfactory for the purpose. Hence a new highly accurate set of data on pressure (-volume-temperature) and internal energy by the Monte-Carlo and molecular dynamics methods and on the chemical potential by Monte Carlo with the new version of the insertion particle method was generated. The data has been used to develop and test a new accurate perturbed hard body equation of state for the Lennard-Jones fluid. The performance of the equation of state on pseudoexperimental data is documented and possible applications of the equation of state for calculating the thermodynamic properties of real fluids are discussed.