The Lennard-Jones Fluid Revisited: Computer Simulation Results

Abstract

Pseudoexperimental data of high accuracy on the pressure and the internal energy of the Lennard-Jones fluid have been generated both by the Monte Carlo and molecular dynamics methods for five subcritical and three supercritical isotherms. Values of the chemical potential of the Lennard-Jones fluid computed by a new version of the gradual insertion particle method for two isotherms up to very high densities are also reported and discussed, and compared with existing data.

Key Words:

• Monte Carlo simulation
• molecular dynamics simulation
• Lennard-Jones fluid
• chemical potential
• gradual insertion particle method