Finding appropriate parameter sets for a given equation of state (EoS) to describe different
properties of a certain substance is an optimization problem with conflicting objectives. Such …

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

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 …

In this paper we present a molecular thermodynamics approach for the modeling of
adsorption isotherms of asphaltenes adsorbed on Berea sandstone, Bedford limestone and …

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 …

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 …

In this work, we performed Molecular Dynamics (MD) simulations to investigate the
thermodynamic properties, including vapor pressures, critical points, pressure, excess …

Semiclassical versions of the statistical associating fluid theory for three-and two-
dimensional chain molecules with attractive potentials of variable range (SAFT-VRQ) are …

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 …