Integral equation theory description of phase equilibria in classical fluids

C Caccamo - Physics reports, 1996 - Elsevier
We review the present status of applications of integral equation theories (IETs) for the radial
distribution function g (r), to the determination of phase diagrams and stability conditions of …

A molecular-thermodynamic model for polyelectrolyte solutions

J Jiang, H Liu, Y Hu, JM Prausnitz - The Journal of chemical physics, 1998 - pubs.aip.org
Polyelectrolyte solutions are modeled as freely tangent-jointed, charged hard-sphere chains
and corresponding counterions in a continuum medium with permitivity ε. By adopting the …

Deviations from ideality in solutions of dicarboxylic acid salts modeled within a BiMSA theory for flexible chains

J Jaramillo-Gutiérrez, O Bernard… - The Journal of …, 2024 - pubs.aip.org
The binding mean spherical approximation theory is used to describe the thermodynamic
properties of dicarboxylic acid salts by adding a chain term in the free energy. The dianions …

Thermodynamics of a model for flexible polyelectrolytes in the binding mean spherical approximation

O Bernard, L Blum - The Journal of Chemical Physics, 2000 - pubs.aip.org
Polyelectrolytes are interesting and important for a large range of applications, both scientific
and technological. It is increasingly clear that a good, robust, and reliable approximation …

Aqueous alkali halide solutions: can osmotic coefficients be explained on the basis of the ionic sizes alone?

YV Kalyuzhnyi, V Vlachy, KA Dill - Physical Chemistry Chemical …, 2010 - pubs.rsc.org
We use the AMSA, associative mean spherical theory of associative fluids, to study ion–ion
interactions in explicit water. We model water molecules as hard spheres with four off-center …

Integral equation theory for highly asymmetric electrolyte solutions

YV Kalyuzhnyi, V Vlachy - Chemical physics letters, 1993 - Elsevier
Integral equation theory based on the Wertheim's two density formalism is proposed to study
interactions in highly asymmetric electrolyte (polyelectrolyte) solutions. The aqueous …

Primitive models of chemical association. IV. Polymer Percus–Yevick ideal-chain approximation for heteronuclear hard-sphere chain fluids

YV Kalyuzhnyi, CT Lin, G Stell - The Journal of chemical physics, 1998 - pubs.aip.org
We continue here our series of studies in which integral-equation theory is developed and
used for the monomer-monomer correlation functions in a fluid of multicomponent freely …

Analytical integral equation theory for a restricted primitive model of polyelectrolytes and counterions within the mean spherical approximation. I. Thermodynamic …

N Von Solms, YC Chiew - The Journal of chemical physics, 1999 - pubs.aip.org
We present an analytical integral equation theory for polyelectrolyte solutions modeled as
linear freely-jointed tangent hard-sphere polyanionic chains and cationic hard-sphere …

Primitive models of chemical association. II. Polymerization into flexible chain molecules of prescribed length

YV Kalyuzhnyi, CT Lin, G Stell - The Journal of chemical physics, 1997 - pubs.aip.org
The structural properties of the totally flexible sticky two-point (S2P) model for polymerization
into chain molecules of fixed length are studied. The model is represented by an n …

A solution of the multiple-binding mean spherical approximation for ionic mixtures

L Blum, MF Holovko, IA Protsykevych - Journal of statistical physics, 1996 - Springer
The mean spherical approximation (MSA) for an arbitrary mixture of charged hard spheres
with saturating bonds is solved in the Wertheim formalism. Any number of bonds is allowed …