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 application of classical density functional theory (cDFT) to model confined fluids is an
outstanding example of directly using fundamental scientific knowledge, such as Statistical …

This study employs classical Density Functional Theory (cDFT) to investigate the adsorption
isotherms and structural information of H 2 and CH 4 fluids inside MOF-5. The results …

The isosteric heat of adsorption is an important thermodynamic property used to
characterize and optimize adsorption processes. In this work, analytic expressions for …

The microcanonical-ensemble computer simulation method (MCE) is used to evaluate the
perturbation terms A i of the Helmholtz free energy of a square-well (SW) fluid. The MCE …

Syndiotactic polystyrene (sPS) is a stereoregular semicrystalline polymer which presents
complex polymorphic behaviour and has been explored as an alternative for hydrogen …

The interest in the description of the properties of fluids of restricted dimensionality is
growing for theoretical and practical reasons. In this work, we have firstly developed an …

Abstract The Microcanonical-Ensemble Perturbation Theory (MEPT) of Sastre et al.(2018)[7]
has been extended to study the vapor-liquid phase coexistence of binary and ternary …

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 …

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 …