Thermodynamic and transport properties of triangular-well fluids from molecular dynamics
VM Trejos, EA Robles-Ruiz, A Torres-Carbajal - Molecular Physics, 2024 - Taylor & Francis
Thermodynamic and transport properties of particles interacting via the triangular-well
potential in the range of 1.4≤ λ≤ 2.6 have been studied using perturbation theory and …
potential in the range of 1.4≤ λ≤ 2.6 have been studied using perturbation theory and …
Statistical fluid theory for systems of variable range interacting via triangular-well pair potential
The interest for describing the thermodynamic properties of fluids is growing in many fields
from pure theoretical to those with technological applications. In this work, we have …
from pure theoretical to those with technological applications. In this work, we have …
Thermodynamic properties of triangle-well fluids in two dimensions: MC and MD simulations
With the aim of providing complementary data of the thermodynamics properties of the
triangular well potential, the vapor/liquid phase diagrams for such potential with different …
triangular well potential, the vapor/liquid phase diagrams for such potential with different …
Unified SAFT-VR theory for simple and chain fluids formed of square-well, triangular-well, Sutherland and Mie segments
H Guérin - Journal of Molecular Liquids, 2015 - Elsevier
The thermodynamic properties of simple and chain fluids, whose molecules interact through
the three following basic hard-core intermolecular potentials: the square-well (SW), the …
the three following basic hard-core intermolecular potentials: the square-well (SW), the …
Phase behaviour of confined associating fluid in a functionalized slit pore: a Monte Carlo study
Vapour-liquid phase equilibria of associating fluids under confinement are investigated
using Grand-Canonical Transition Matrix Monte Carlo (GC-TMMC) method. Various …
using Grand-Canonical Transition Matrix Monte Carlo (GC-TMMC) method. Various …
Molecular simulations for carbon dioxide capture in silica slit pores
In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations
to quantify CO 2 capture inside porous silica at high operating temperatures of 673.15 K and …
to quantify CO 2 capture inside porous silica at high operating temperatures of 673.15 K and …
Molecular simulation study of CO2 adsorption in carbon slit pores at high temperature and pressure conditions
This work contributes to the estimation of new and complementary density data for carbon
dioxide (CO 2) confined in carbon slit pores at different conditions. Grand canonical Monte …
dioxide (CO 2) confined in carbon slit pores at different conditions. Grand canonical Monte …