Adsorption in random porous media

O Pizio - Computational Methods in Surface and Colloid …, 2019 - taylorfrancis.com
This chapter presents some of the results for the adsorption of a hard sphere fluid in a
disordered medium of spherical permeable membranes. It also presents the most important …

Fluids in random porous media: Scaled particle theory

M Holovko, T Patsahan, W Dong - Pure and Applied Chemistry, 2012 - degruyter.com
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 …

An examination of the vapour-liquid interface of associating fluids using a SAFT-DFT approach

FJ Blas, EM DEL RÍO, E De Miguel, G Jackson - Molecular Physics, 2001 - Taylor & Francis
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 …

Water-like fluid in the presence of Lennard–Jones obstacles: predictions of an associative replica Ornstein–Zernike theory

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 …

Theories of molecular fluids confined in disordered porous materials

L Sarkisov, PR Van Tassel - Journal of Physics: Condensed …, 2008 - iopscience.iop.org
A fundamental description of fluids under confinement is important to our efforts to design
next-generation porous materials with specified characteristics. Computer simulation has …

Rose water in random porous media: Associative replica Ornstein-Zernike theory study

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 …

Phase behavior of patchy colloids confined in patchy porous media

YV Kalyuzhnyi, T Patsahan, M Holovko, PT Cummings - Nanoscale, 2024 - pubs.rsc.org
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 replica reference interaction site model theory for a polar molecular liquid sorbed in a disordered microporous material with polar chemical groups

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 …

What is liquid in random porous media: the Barker-Henderson perturbation theory

MF Holovko, TM Patsahan, VI Shmotolokha - arXiv preprint arXiv …, 2015 - arxiv.org
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 …

Ion–ion correlations in electrolyte solutions adsorbed in disordered electroneutral charged matrices from replica Ornstein–Zernike equations

B Hribar, O Pizio, A Trokhymchuk… - The Journal of chemical …, 1998 - pubs.aip.org
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 …