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

Thermodynamic properties of fluids in nanopores are altered by confinement, and equations
of state (EOS) for bulk fluids are not able to predict them. We utilized a recent EOS based on …

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 …

We perform grand canonical Monte Carlo (GCMC) simulations to study the adsorption of
carbon dioxide in a calcite slit pore. The injection of carbon dioxide is simulated by …

For more than a century, monolayer adsorptions in which adsorbate molecules and
adsorbing sites behave ideally have been successfully described by Langmuir's adsorption …

The thermodynamic and transport properties of a fluid depend significantly on the particle
interactions at the molecular level. The range of these interparticle interactions thus plays a …

Weakly bound adsorbates on surfaces may display 2D gas properties. In this work, we
consider connections between chemical potential, partition functions, and equations of state …

Abstract We report on Molecular Dynamics simulations and Pulse-Field Gradient (PFG)-
NMR experiments to investigate the dynamics of glycerol in γ-Al 2 O 3 nanopores and shed …

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)] …

This study presents the implementation of distinct fluid-fluid and wall-fluid interaction
potentials to investigate the adsorption behavior of methane on a graphite surface. The …