Revista mexicana de física
versão impressa ISSN 0035-001X
Shoulder-square-well systems are studied by means of replica exchange Monte Carlos simulations. By fixing the depth and range of the square well, the influence of the shoulder height is analyzed on the phase diagrams, structure, and phase behavior. Results show that an increase of the shoulder height leads to a decrease of the critical point temperature and density. Furthermore, a larger shoulder height also favors crystallization by restricting the bonding length range.
Palavras-chave : Shoulder-square-well fluid; thermodynamic properties; Monte Carlo simulations.