EM Apfelbaum - Journal of Molecular Liquids, 2023 - Elsevier
The behavior of the line of ideal isothermal compressibility was studied for several 2D model liquids by means of numerical simulations. The investigated contour is the line, along which …
We present a systematic study of the vapor–liquid equilibria of prolate Kihara fluids embedding both dipole and quadrupole moments Monte Carlo simulations and perturbation …
EM Apfelbaum - Journal of Molecular Liquids, 2021 - Elsevier
We use the numerical simulations for several model systems to investigate the behavior of the ideal contours and their correlations with the liquid-gas coexistence curve in 2D space …
In this work, we performed Molecular Dynamics (MD) simulations to investigate the thermodynamic properties, including vapor pressures, critical points, pressure, excess …
The Helmholtz free-energy high-temperature perturbation terms of the square-shoulder and the square-well potentials of variable range were calculated using the Microcanonical …
A Katts, V Kulinskii - Journal of Molecular Liquids, 2023 - Elsevier
In this paper we apply fluid-lattice gas global isomorphism approach to liquid-vapor equilibrium of Yukawa attractive fluid in the two dimensions. The construction of tangent to …
We present an extension of the SAFT-VR Mie approach to model adsorption of molecular fluids based on a two-dimensional (2D) approximation to describe the adsorbed fluid …
We present results for thermodynamic and diffusion properties of a square-well fluid (SW) using the Microcanonical-Ensemble perturbation theory (MEPT)[Mol. Phys. 116, 351 (2018)] …
Molecular simulations in the canonical and isothermal-isobaric ensembles were performed for a two-dimensional simple fluid using a set of non conformal molecular interactions. The …