The equilibrium between vapour and liquid in a square-well system has been determined by
a hybrid simulation approach combining chemical potentials calculated via the Gibbs …

The vapor–liquid phase equilibria of square‐well systems with hard‐sphere diameters σ,
well‐depths ε, and ranges λ= 1.25, 1.375, 1.5, 1.75, and 2 are determined by Monte Carlo …

The pure water phase equilibrium is calculated over a wide temperature range using the
Gibbs ensemble Monte Carlo method with simple two-body molecular models. The Ewald …

A methodology is presented for Monte Carlo simulation of fluids in a new ensemble that can
be used to obtain phase coexistence properties of multicomponent systems from a single …

In this article, an overview of recent achievements in Monte Carlo molecular simulation of
aqueous systems is presented. Semi-empirical two-body potential models introduced …

A methodology is presented for Monte Carlo simulation of fluids in a new ensemble that can
be used to obtain phase coexistence properties of multicomponent systems from a single …

A Temperature–and–Density–Scaling Monte Carlo (TDSMC) study of the square-well fluid
was carried out. The relative excess free energy was obtained directly from the simulations …

Gibbs ensemble Monte Carlo simulations are undertaken in order to determine the vapor–
liquid and liquid–liquid phase equilibria for mixtures containing square‐well particles. Two …

Gibbs ensemble simulation data for Stockmayer fluids with μ* 2= 3· 0 and μ* 2= 4· 0 in the
reduced temperature range of 0· 77 (resp. 0· 80)-0· 98 and presented and compared with …

Vapour-liquid phase diagrams for pure fluids and mixtures of molecules with Lennard-Jones
plus quadrupole-quadrupole interaction potentials were determined by Monte Carlo …