Related papers: Surface tension of molecular liquids: Lattice gas …
In this communication we show that the surface tension of the real fluids of the Lennard-Jones type can be obtained from the surface tension of the lattice gas (Ising model) on the basis of the global isomorphism approach developed earlier…
In this paper we use molecular dynamics (MD) to answer a classical question: how does the surface tension on a liquid/gas interface appear? After defining surface tension from the first principles and performing several consistency checks,…
We have established the surface tension relaxation time in the liquid-solid interfaces of Lennard-Jones (LJ) liquids by means of direct measurements in molecular dynamics (MD) simulations. The main result is that the relaxation time is…
Liquid-gas equilibrium is considered using the global isomorphism with the Ising-like (lattice gas) model. Such an approach assumes the existence of the order parameter in terms of which the symmetry of binodal is restored not only in the…
For the two dimensional Ising model, we construct the adequate surface tension near criticality. The latter quantity has been shown to play a central role in the study of phase coexistence in a joint limit where the temperature approaches…
The interpretation of the linear character of the observable classic rectilinear diameter law and the linear character of the Zeno-line (unit compressibility line Z=1) on the basis of global isomorphism between Ising model (Lattice Gas) and…
A novel mechanical approach is developed to explore by means of atom-scale simulation the concept of line tension at a solid-liquid-vapor contact line as well as its dependence on temperature, confinement, and solid/fluid interactions. More…
The relation between the critical compressibility factors $Z_{c}$ of the Lennard-Jones fluid and the Lattice Gas (Ising model) is derived within the global isomorphism approach. On this basis we obtain the alternative form for the value of…
This study developed a simple method to measure liquid surface tension based on curve fitting technique. In this study, the explicit lying droplet profile function in terms of surface tension was derived by solving 2-D Young-Laplace…
The phase behavior of fluids near weakly attractive substrates is studied by computer simulations of the coexistence curve of a Lennard-Jones (LJ) fluid confined in a slitlike pore. The temperature dependence of the density profiles of the…
Molecular models of real fluids are validated by comparing the vapor-liquid surface tension from molecular dynamics (MD) simulation to correlations of experimental data. The considered molecular models consist of up to 28 interaction sites,…
We compute properties of the interface of the 3-dimensional Ising model for a wide range of temperatures, covering the whole region from the low temperature domain through the roughening transition to the bulk critical point. The interface…
We compute properties of the interface of the 3-dimensional Ising model for a wide range of temperatures and for interface extensions up to 64 by 64. The interface tension sigma is obtained by integrating the surface energy density over the…
By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced…
We analyze the interrelation between the coexistence curve of the Lennard-Jones fluid and the Ising model in two and three dimensions within the global isomorphism approach proposed earlier [V. L. Kulinskii, J. Phys. Chem. B \textbf{114}…
Parametric scaling representations are obtained and studied for the asymptotic behavior of interfacial tensions in the \textit{full} neighborhood of a fluid (or Ising-type) critical endpoint, i.e., as a function \textit{both} of temperature…
Due to the simultaneous presence of bulk-like and interfacial fluctuations the understanding of the structure of liquid-vapour interfaces poses a long-lasting and ongoing challenge for experiments, theory, and simulations. We provide a new…
We examine the performance of several molecular simulation techniques aimed at evaluation of the surface tension through its thermodynamic definition. For all methods explored, the surface tension is calculated by approximating the change…
The gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point…
Excess contributions to the free energy due to interfaces occur for many problems encountered in the statistical physics of condensed matter when coexistence between different phases is possible (e.g. wetting phenomena, nucleation, crystal…