Grand canonical Monte Carlo simulations are used to explore the metastable fluid-fluid coexistence curve of the modified Lennard-Jones model of globular proteins of ten Wolde and Frenkel [Science, 277, 1975 (1997)]. Using both mixed-field finite-size scaling and histogram-reweighting methods, the joint distribution of density and energy fluctuations is analyzed at coexistence to accurately dete...

Two-dimensional systems are interesting both from a purely theoretical and from an experimental point of view. Examples of real systems that behave effectively as two-dimensional systems are monolayers adsorbed on solid substrates’ and surfactants adsorbed on an air/water interface.’ If a fluid is confined between two parallel plates, the phase behavior of such a system has two limiting cases. ...

Using classical molecular dynamics simulations, we have studied thermal boundary conductance (TBC) between a single-walled carbon nanotube (SWNT) and surrounding Lennard-Jones (LJ) fluids. With an aim to identify a general model that explains the TBC for various surrounding materials, TBC was calculated for three different surrounding LJ fluids, hydrogen, nitrogen, and argon in supercritical ph...

The melting transition of bulk and confined Stockmayer fluids (μ = 1) is analyzed using molecular dynamic simulations. The solid−liquid coexistence temperature is evaluated using a modified three-stage pseudosupercritical transformation path. The bulk melting temperature calculated using the aforementioned method agrees well with the literature value. Melting temperatures of the Stockmayer flui...

During the past few decades molecular dynamics has been a widely applied tool to simulate fluid confined in micro/nano geometries. What makes interfacial fluids fundamentally different from the bulk fluid is the fact that their density varies considerably over microscopic distances. A class of such strongly inhomogeneous fluids are fluids confined in very narrow channels by solid boundaries. In...

In this work, entropy scaling approaches for viscosity of pure Lennard-Jones (LJ) fluids and their mixtures have been investigated. To do so, we employed reliable database available in literature the LJ fluids, performed molecular dynamics simulation to generate over a wide range thermodynamic condition mixture fluids. It has shown that fluid, using macroscopic properties reduction yield notice...