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The study aims to investigate the properties of Lennard-Jones molecules in supercritical states using Monte Carlo methods.

Monte Carlo Equation of State of Molecules Interacting with the Lennard-Jones Potential. I. A Supercritical Isotherm at about Twice the Critical Temperature

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Randomized trial shows the properties of Lennard-Jones molecules at high temperatures, indicating potential applications in fluid dynamics.

The study aims to investigate the properties of Lennard-Jones molecules in supercritical states using Monte Carlo methods.
Monte Carlo calculations were performed for compressibility, excess internal energy, heat capacity, and radial distribution function.
Calculations were done at kT/ε*=2.74 across thirteen volumes between v/v*=0.75 and 7.5.
Comparisons were made with experimental data from Michels and Bridgman on argon at 55°C.
Monte Carlo calculations displayed a fluid-solid transition but did not precisely determine transition pressure and increments in volume and enthalpy.
Results closely aligned with Michels' data, while showing significant disagreement with Bridgman's observations.
Lennard-Jones-Devonshire theory results were consistent on the solid branch but not on the fluid phase.

Wood et al. (1957) studied this question.

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Randomized trial shows the properties of Lennard-Jones molecules at high temperatures, indicating potential applications in fluid dynamics.