The triangle-well (TW) potential is a simple model which is able to capture the essence of
the intermolecular attraction in real molecules. Transition matrix Monte Carlo simulations in …

The Monte Carlo (MC) and molecular dynamics (MD) methodologies are now well
established for computing equilibrium properties in homogeneous fluids. This is not yet the …

Obtaining knowledge of the mutual miscibility of alkanes, surfactants, and water over a wide
range of temperatures and pressures is of great relevance for the energy industry. Molecular …

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 …

Systems of particles interacting via the square-well potential have been extensively studied
by statistical mechanics methods. The model is of substantial theoretical importance in …

We present results from a computational study investigating the use of Gibbs ensemble and
grand-canonical transition-matrix Monte Carlo (GC-TMMC) methods to determine the liquid …

A key characteristic of associating fluids is the presence of strong, short-ranged, and
orientationally dependent attractive forces between molecules. Such fluids can form clusters …

Phase equilibria of a square-well fluid in planar slit pores with varying slit width are
investigated by applying the grand-canonical transition-matrix Monte Carlo (GC-TMMC) with …

Coexistence and interfacial properties of a triangle-well (TW) fluid are obtained with the aim
of mimicking the Lennard-Jones (LJ) potential and approach the properties of noble gases …

A novel test-area (TA) technique for the direct simulation of the interfacial tension of systems
interacting through arbitrary intermolecular potentials is presented in this paper. The most …