The scaled particle theory (SPT) is applied to describe thermodynamic properties of a hard sphere (HS) fluid in random porous media. To this purpose, we extended the SPT2 …
With a realistic description of the free energy of bulk fluids, it is now possible to make accurate predictions at the molecular level for the phase behaviour of systems as complex …
T Urbic, V Vlachy, O Pizio, KA Dill - Journal of molecular liquids, 2004 - Elsevier
What are the properties of water in the presence of a 'sea'of inert obstacles? This question arises because biological cells are highly crowded media, and it is of interest to know the …
A fundamental description of fluids under confinement is important to our efforts to design next-generation porous materials with specified characteristics. Computer simulation has …
P Ogrin, T Urbic - Journal of molecular liquids, 2022 - Elsevier
The properties of water are vastly affected by its local environment or in other words the system in which water is present. There are many systems in which water is confined in …
A simple model for functionalized disordered porous media is proposed and the effects of confinement on self-association, percolation and phase behavior of a fluid of patchy …
A Kovalenko, F Hirata - The Journal of Chemical Physics, 2001 - pubs.aip.org
We develop a replica generalization of the reference interaction site model (replica RISM) integral equation theory to describe the structure and thermodynamics of quenched …
We apply the Barker-Henderson (BH) perturbation theory to the study of a Lennard-Jones fluid confined in a random porous matrix formed by hard sphere particles. In order to …
The replica Ornstein–Zernike (ROZ) equations, supplemented by the hypernetted chain and mean spherical closures, were solved for an ionic fluid adsorbed in a disordered charged …