Molecular simulation of liquid-liquid equilibria for Lennard-Jones fluids

Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble

Athanassios Z. Panagiotopoulos · Molecular Physics · 1987 · 2K citations

Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble

Athanassios Z. Panagiotopoulos · Molecular Physics · 2002 · 1.6K citations

Engineering, Fluid Mechanics, Different Densities +24

Phase equilibria by simulation in the Gibbs ensemble

Athanassios Z. Panagiotopoulos, N. Quirke, M. R. Stapleton et al. · Molecular Physics · 1988 · 1.2K citations

Engineering, Phase Equilibria, Constantpressure Gibbs Ensemble +20

Phase equilibria and critical behavior of square-well fluids of variable width by Gibbs ensemble Monte Carlo simulation

Lourdes F. Vega, Enrique de Miguel, Luis F. Rull et al. · The Journal of Chemical Physics · 1992 · 333 citations · Full text

Engineering, Vapor–liquid Coexistence Curves, Phase Equilibria +20

Molecular simulation of water along the liquid–vapor coexistence curve from 25 °C to the critical point

Juan Pablo, John M. Prausnitz, Henry J. Strauch et al. · The Journal of Chemical Physics · 1990 · 160 citations · Full text

Engineering, Experimental Thermodynamics, Computational Chemistry +22