Some aspects of the Methodology in Gibbs Ensemble Monte Carlo Simulations in Connection with a Model Fluid of C₆₀

Abstract

Conventional and new versions of the Gibbs ensemble Monte Carlo technique existing for one-component systems were applied for the determination of the vapour-liquid coexistence in the model fluid of C₆₀. Employing exact long range corrections for the model, no significant particle number dependence of the simulation results was found. The results confirm that a liquid phase may exist for this model.

Key Words:

• Monte Carlo
• Gibbs ensemble
• vapour-liquid equilibrium
• fullerene