| Abstract |
The objective of the present paper is to reassess our previous results and conclusions oil the simulation of model C-60 and other fullerenes, in view of the results recently reported by other authors. We report new sublimation enthalpies in good agreement with the available experimental data and recent theoretical results. Special attention is given to the pressures along the coexistent phases. We also present a comparative study, by NVT and NpT simulations, of supercritical isotherms for Lennard-Jonesium and C-60, in order to clarify the Gibbs ensemble and Gibbs-Duhem Monte Carlo calculations. It is suggested that even in the case Of C-60 the stable fluid-solid transitions can be detected through the visual analysis of the equations of state. Finally, we critically review our previous works on model fullerenes. |
