Articulo
Continuum percolation of simple fluids: energetic connectivity criteria
Registro en:
issn:0378-4371
Autor
Pugnaloni, Luis Ariel
Márquez, Ileana F.
Vericat, Fernando
Institución
Resumen
During the last few years, a number of works in computer simulation have focused on the clustering and percolation properties of simple fluids based on an energetic connectivity criterion proposed long ago by T.L. Hill (J. Chem. Phys. 23 (1955) 617). This connectivity criterion appears to be the most appropriate in the study of gas–liquid phase transition. So far, integral equation theories have relayed on a velocity-averaged version of this criterion. We show, by using molecular dynamics simulations, that this average strongly overestimates percolation densities in the Lennard–Jones fluid making unreliable any prediction based on it. Additionally, we use a recently developed integral equation theory (Phys. Rev. E 61 (2000) R6067) to show how this velocity-average can be overcome. Facultad de Ciencias Exactas Instituto de Física de Líquidos y Sistemas Biológicos Facultad de Ingeniería Grupo de Aplicaciones Matemáticas y Estadísticas de la Facultad de Ingeniería