Year: 2011
Type: article
Abstract: The thermodynamic properties of strong short-range attractive Yukawa fluids, κ = 10, 9, 8, and 7, are determined by combining the slab technique with the standard and the replica exchange Monte Carlo (REMC) methods. A good agreement was found among the coexistence curves of these systems calculated by REMC and those previously reported in the literature. However, REMC allows exploring the coexistence at lower temperatures, where dynamics turns glassy. To obtain the surface tension we employed, for both methods, a procedure that yields the pressure tensor components for discontinuous potentials. The surface tension results obtained by the standard MC and REMC techniques are in good agreement.
Source: The Journal of Chemical Physics
DOI: 10.1063/1.3578637
Authors: G. Odriozola, M. Bárcenas, P. Orea
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2062845819