Ionic effects beyond Poisson-Boltzmann theory

V Vlachy - Annual review of physical chemistry, 1999 - annualreviews.org
▪ Abstract Polyelectrolytes are electrolytes asymmetric both in charge and size. Their
properties in solution are dominated by Coulombic forces, and without a detailed …

Partly-quenched systems containing charges. Structure and dynamics of ions in nanoporous materials

B Hribar-Lee, M Lukšič, V Vlachy - Annual Reports Section" C" …, 2011 - pubs.rsc.org
Disordered porous materials filled with liquid or solution may be considered as partly-
quenched, ie, as systems in which some of the degrees of freedom are quenched and others …

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 …

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 …

Theory and simulation of adsorption in a templated porous material: Hard sphere systems

L Zhang, PR Van Tassel - The Journal of Chemical Physics, 2000 - pubs.aip.org
An emerging strategy for controlling porosity in disordered materials is to employ a
removable template during synthesis. We present here a theoretical description of …

Effects of disordered porous media on the vapour-liquid phase equilibrium in ionic fluids: application of the association concept

M Holovko, T Patsahan, O Patsahan - Journal of Molecular Liquids, 2017 - Elsevier
We study the vapour-liquid phase diagram of a model ionic fluid, the so-called restricted
primitive model, confined in a disordered porous medium formed by the matrix of hard …

One-dimensional hard rod fluid in a disordered porous medium: scaled particle theory

M Holovko, T Patsahan, W Dong - arXiv preprint arXiv:1207.2986, 2012 - arxiv.org
The scaled particle theory is applied to a description of thermodynamic properties of one-
dimensional hard rod fluid in disordered porous media. To this end, we extended the SPT2 …

Structural and thermodynamic properties of electrolyte solutions in hard-sphere confinement: Predictions of the replica integral equation theory

B Hribar, V Vlachy, O Pizio - The Journal of Physical Chemistry B, 2000 - ACS Publications
The structural and thermodynamic properties of the primitive model for 1− 1, 2− 1, 3− 1, and
4− 1 electrolyte solutions in a disordered hard sphere matrix environment mimicking a …

Structure and thermodynamics of asymmetric electrolytes adsorbed in disordered electroneutral charged matrices from Replica Ornstein− Zernike equations

B Hribar, V Vlachy, A Trokhymchuk… - The Journal of Physical …, 1999 - ACS Publications
The replica Ornstein− Zernike equations, supplemented by the hypernetted chain
approximation, were solved for size and/or charge asymmetric electrolytes adsorbed in a …