Polymers with spatial or topological constraints: Theoretical and computational results

C Micheletti, D Marenduzzo, E Orlandini - Physics Reports, 2011 - Elsevier
In this review, we provide an organized summary of the theoretical and computational
results that are available for polymers subject to spatial or topological constraints. Because …

PRISM theory of the structure, thermodynamics, and phase transitions of polymer liquids and alloys

KS Schweizer, JG Curro - Atomistic Modeling of Physical Properties, 2006 - Springer
The recent development of a microscopic theory of the equilibrium properties of polymer
solutions, melts and alloys based on off-lattice Polymer Reference Interaction Site Model …

New reference equation of state for associating liquids

WG Chapman, KE Gubbins, G Jackson… - Industrial & …, 1990 - ACS Publications
An equation of state for associating liquids is presented as a sum of three Helmholtz energy
terms: Lennard-Lones (LJ) segment (temperature-dependent hard sphere+ dispersion) …

SAFT: Equation-of-state solution model for associating fluids

WG Chapman, KE Gubbins, G Jackson, M Radosz - Fluid Phase Equilibria, 1989 - Elsevier
An equation-of-state model has been developed for predicting phase equilibria, based on
the Statistical Associating Fluid Theory (SAFT). The agreement with molecular simulation …

Phase equilibria of associating fluids: chain molecules with multiple bonding sites

WG Chapman, G Jackson, KE Gubbins - Molecular Physics, 1988 - Taylor & Francis
As a continuation of our work on spherical associating molecules, we have derived
expressions for changes in the thermodynamic properties due to association in mixtures of …

Integral equation theories of the structure, thermodynamics, and phase transitions of polymer fluids

KS Schweizer, JG Curro - Advances in Chemical Physics, 1997 - Wiley Online Library
Condensed polymeric fluids exhibit a rich and complex set of experimental phenomena
associated with the combined influences of local, systemspecific monomer structure and …

Molecular dynamics simulations of the structure and dynamics of confined polymer melts

I Bitsanis, G Hadziioannou - The Journal of chemical physics, 1990 - pubs.aip.org
We performed a series of molecular dynamics simulations investigating the static and
dynamic properties of polymer melts confined between planar solid surfaces. The solid–melt …

Percus-Yevick integral-equation theory for athermal hard-sphere chains: Part I: Equations of state

YC Chiew - Molecular Physics, 1990 - Taylor & Francis
A theoretical method for the modelling of athermal freely jointed tangent hard-sphere chain
fluids, of fixed length r, is developed based on a 'particle-particle'description of the chain …

Equation of state for Lennard-Jones chains

JK Johnson, EA Mueller… - The Journal of Physical …, 1994 - ACS Publications
An equation of state for chains composed of tangent, freely jointed Lennard-Jones spheres
is presented. The equation is based on a statistical mechanical description of polymerization …

Application of Wertheim's thermodynamic perturbation theory to dipolar hard sphere chains

PK Jog, WG Chapman - Molecular Physics, 1999 - Taylor & Francis
We present results from molecular simulation and statistical mechanics based theory for
dipolar hard sphere chains. We consider tangent hard sphere chains with dipoles on …