The concept of disjoining pressure, developed from thermodynamic and hydrodynamic analysis, has been widely used as a means of modeling the liquid-solid molecular force interactions in an ultra-thin liquid film on a solid surface. In particular, this approach has been extensively used in models of thin film transport in passages in micro evaporators and micro heat pipes. In this investigation, ...

Replica exchange methods (REMs) are increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. However, despite having been shown to be very effective on model systems, the application of REM in complex systems such as for the simulation of protein and peptide folding in explicit solvent has not been objectively tested in detail. Here we present a comp...

Canonical molecular dynamics MD and Monte Carlo MC simulations for liquid/vapor equilibrium in truncated Lennard-Jones fluid have been carried out. Different results for coexistence properties orthobaric densities, normal and tangential pressure profiles, and surface tension have been reported in each method. These differences are attributed in literature to different set up conditions, e.g., s...