RT Journal Article
T1 Liquid-vapor equilibrium and critical point of parabolic-well fluids of variable width derived from Gibbs Ensemble Monte Carlo simulation
A1 Rodríguez Rivas, Álvaro
A1 López de Haro, Mariano
K1 van Hove potential
K1 Parabolic-well fluid
K1 Thermodynamic perturbation theory
K1 Equation of state
K1 Gibbs Ensemble Monte Carlo simulation
AB The vapor-liquid coexistence curve at equilibrium of parabolic-well (PW) fluids is computed by means of Monte Carlo simulations, for a selection of well-widths. The outcome is compared with results for corresponding curves of triangle-well (TW) and square-well (SW) fluids with the same range. It is found that, for a given width, the shape of the vapor-liquid coexistence curve in the case of the parabolic-well fluid is rather similar to the one of the triangular-well fluid and a little bit different to the one of the square-well fluid. It is also found that such vapor-liquid coexistence curve shifts towards higher temperatures as the width of the parabolic-well potential increases, always falling, for the same range in all cases, between the vapor-liquid coexistence curves corresponding to the other two potentials. In addition, it was observed that the reduced critical temperature matches the theoretical prediction of the Vliegenthart and Lekkerkerker (V-L) criterion only for the smaller well-width, the accuracy of such criterion decreasing substantially as the range increases.
PB Elsevier
YR 2023
FD 2023
LK http://hdl.handle.net/10433/16402
UL http://hdl.handle.net/10433/16402
LA en
NO Journal of Molecular Liquids Volume 386, 15 September 2023, 122495
NO Funding for open access publishing: Universidad Pablode Olavide/CBUA.Consejería de Transformación Económica, Industria, Conocimiento y Universidades de la Junta de Andalucía/FEDER for funding through project P20-00816.Consejería de Transformación Económica, Industria, Conocimiento y Universidades de la Junta de Andalucía through post-doctoral grant no. DC 00316 (PAIDI 2020), co-funded by the EU Fondo Social Europeo (FSE).
NO Universidad Pablo de Olavide de Sevilla. Departamento de Sistemas Físicos, Químicos y Naturales
DS RIO
RD May 8, 2026