A Gibbs ensemble Monte Carlo study of phase coexistence in the solvent primitive model (original) (raw)

Extensive Gibbs ensemble Monte Carlo (GEMC) simulations of a rigid molecule model of C60 were performed to analyze the impact of system size on liquid-vapor phase coexistence. Results indicated that finite size effects have a minor influence on the location of the binodal line and critical point. The estimated critical temperature and density were found in the ranges of 1920-1940 K and 0.4-0.45 nm−3. Comparisons with prior studies reveal satisfactory agreement regarding phase behavior, including the existence of a stable liquid phase at high temperatures. The findings suggest a relatively narrow liquid region in the phase diagram, as corroborated by previous theoretical work.