Two novel interfacial tension (IFT) models are presented, and four thermodynamic models—
CPA-G, PCPA-G, CPA-P, and PCPA-P—based on the cubic-plus-association (CPA) …

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 …

The adsorption and phase behavior of two model fluids, both with square well inter-particle
attraction and site-site associative interaction, in slit-like pores have been studied in the …

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

The thermodynamic behavior of fluids confined in nanopores is highly influenced by the
interaction between fluid molecules and pore walls. The most accurate approaches for …

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 …

Although porphyrin containing metal organic frameworks (PCMOFs) have found applications
in different important fields, for example catalysis, phototherapy, adsorption etc. the …

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 …

Adsorption of alkyl chain alcohols, ranging from methanol to n-hexanol, on manganese
hexacyanocobaltate (MnHCCo) and copper hexacyanocobaltate (CuHCCo) nanoparticles …