Quasi-two-dimensional dispersions of Brownian particles with competitive interactions: phase behavior and structural properties

Z Tan, V Calandrini, JKG Dhont, G Nägele - Soft Matter, 2024 - pubs.rsc.org
Competing short-range attractive (SA) and long range repulsive (LR) particle interactions
can be used to describe three-dimensional charge-stabilized colloid or protein dispersions …

The similarity relation for the line of ideal isothermal compressibility for 2D systems in liquid state

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 …

[HTML][HTML] Thermodynamics of multipolar Kihara fluids. Results from Monte Carlo simulations and molecular discrete perturbation theory

VM Trejos, F Gámez - Chemical Physics Letters, 2022 - Elsevier
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 …

The ideal lines on the phase diagrams of liquids in 2D space

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 …

Molecular Dynamics simulations and discrete perturbation theory for systems interacting via the parabolic-well pair potential

AJ Ríos-Roldán, JA Moreno-Razo… - Journal of Molecular …, 2024 - Elsevier
In this work, we performed Molecular Dynamics (MD) simulations to investigate the
thermodynamic properties, including vapor pressures, critical points, pressure, excess …

Helmholtz free-energy high-temperature perturbation expansion for square-well and square-shoulder potentials

F Sastre, MG Sotelo-Serna, E Moreno-Hilario… - Molecular …, 2021 - Taylor & Francis
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 …

[HTML][HTML] Global isomorphism approach: attractive Yukawa fluid, 2D case

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 …

Modelling adsorption using an augmented two-dimensional statistical associating fluid theory: 2D-SAFT-VR Mie

G Campos-Villalobos, S Ravipati, AJ Haslam… - Molecular …, 2019 - Taylor & Francis
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 …

Microcanonical-ensemble perturbation theory for thermodynamic and diffusion properties of square-well fluids

A Martínez-Borquez, VM Trejos… - Journal of Molecular …, 2022 - Elsevier
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)] …

Effects of the repulsive and attractive forces on phase equilibrium and critical properties of two-dimensional non-conformal simple fluids

B Ibarra-Tandi, JA Moreno-Razo… - Journal of Molecular …, 2021 - Elsevier
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 …