Polymer solutions in confining geometries

I Teraoka - Progress in polymer science, 1996 - Elsevier
Various structures naturally occur in all bulk polymer and polymer solution systems. It is not
an exaggeration to say that a wealth of structures in those systems has motivated prominent …

Steric exclusion/adsorption compensation in partitioning of polymers into micropores in good solvents

P Cifra, T Bleha - Polymer, 2000 - Elsevier
Partitioning equilibrium between bulk and slit-like pores in dilute solution was studied by
Monte Carlo (MC) simulations on a cubic lattice in the presence of attractive, polymer–pore …

Partition coefficients and the free energy of confinement from simulations of nonideal polymer systems

P Cifra, T Bleha - Macromolecules, 2001 - ACS Publications
The investigation of the partitioning equilibrium in real polymer systems by Monte Carlo
(MC) simulations is reported. In contrast to ideal chain treatments the factors such as …

Universal properties of a single polymer chain in slit: Scaling versus molecular dynamics simulations

DI Dimitrov, A Milchev, K Binder, LI Klushin… - The Journal of …, 2008 - pubs.aip.org
We revisit the classical problem of a polymer confined in a slit in both of its static and
dynamic aspects. We confirm a number of well known scaling predictions and analyze their …

Absorbed weak polyelectrolytes: Impact of confinement, topology, and chemically specific interactions on ionization, conformation free energy, counterion …

A Tagliabue, L Izzo, M Mella - Journal of Polymer Science Part …, 2019 - Wiley Online Library
Absorption of weak polyelectrolytes impacts on properties such as ionization, conformations,
and counterion (CI) condensation that are important in several areas of applied and …

Computer simulation of semidilute polymer solutions in confined geometry: pore as a microscopic probe

Y Wang, I Teraoka - Macromolecules, 1997 - ACS Publications
We present a lattice computer simulation study on the geometrical confinement effect of
polymer solutions in a wide range of concentrations. Polymer chains were equilibrated for a …

Modulation of ionization and structural properties of weak polyelectrolytes due to 1D, 2D, and 3D confinement

M Mella, L Izzo - Journal of Polymer Science Part B: Polymer …, 2017 - Wiley Online Library
What is the impact of reducing the space available to molecules onto their properties is a
fundamental question for capillary systems, molecular biology and transport, protein and …

Diffusion of polystyrene in controlled pore glasses: Transition from the dilute to the semidilute regime

I Teraoka, KH Langley, FE Karasz - Macromolecules, 1993 - ACS Publications
The diffusion of polystyrenemolecules inside controlled pore glasses with inert pore walls
was investigated by the technique of dynamic light scattering over a wide range of …

Partitioning of polymer chains in solution with a square channel: Lattice Monte Carlo simulations

P Cifra, I Teraoka - Polymer, 2002 - Elsevier
Cubic lattice Monte Carlo simulation studies were conducted to examine the effect of
confinement on dilute and non-dilute solutions of polymer chains in a channel with a square …

Anisotropy in the dimensional and elastic parameters of confined macromolecules

P Cifra, T Bleha - Macromolecular theory and simulations, 1999 - Wiley Online Library
Using lattice simulations the effect of confinement on the size, orientation and elastic
properties of athermal chains was investigated. For chains confined in a slit or in a “cylinder” …