Nonequilibrium processes in polymer membrane formation: Theory and experiment
M Müller, V Abetz - Chemical reviews, 2021 - ACS Publications
Porous polymer and copolymer membranes are useful for ultrafiltration of functional
macromolecules, colloids, and water purification. In particular, block copolymer membranes …
macromolecules, colloids, and water purification. In particular, block copolymer membranes …
A review of multiscale computational methods in polymeric materials
A Gooneie, S Schuschnigg, C Holzer - Polymers, 2017 - mdpi.com
Polymeric materials display distinguished characteristics which stem from the interplay of
phenomena at various length and time scales. Further development of polymer systems …
phenomena at various length and time scales. Further development of polymer systems …
[CITATION][C] Monte Carlo Simulation in Statistical Physics
K Binder - 1992 - pubs.aip.org
Roughly at the time (1987) when the manuscript for the first three chapters of the present
book was completed, several breakthroughs occurred. They had a profound influence on the …
book was completed, several breakthroughs occurred. They had a profound influence on the …
Computer simulations of supercooled polymer melts in the bulk and in confined geometry
J Baschnagel, F Varnik - Journal of Physics: Condensed Matter, 2005 - iopscience.iop.org
We survey results of computer simulations for the structure and dynamics of supercooled
polymer melts and films. Our survey is mainly concerned with features of a coarse grained …
polymer melts and films. Our survey is mainly concerned with features of a coarse grained …
Biological and synthetic membranes: What can be learned from a coarse-grained description?
We discuss the role coarse-grained models play in the investigation of the structure and
thermodynamics of bilayer membranes, and we place them in the context of alternative …
thermodynamics of bilayer membranes, and we place them in the context of alternative …
Glass transition of polymer melts: test of theoretical concepts by computer simulation
K Binder, J Baschnagel, W Paul - Progress in Polymer Science, 2003 - Elsevier
Polymers are good glass formers and allow for the study of melts near the glass transition in
(meta-) stable equilibrium. Theories of the glass transition imply such an equilibrium and …
(meta-) stable equilibrium. Theories of the glass transition imply such an equilibrium and …
Single chain in mean field simulations: Quasi-instantaneous field approximation and quantitative comparison with Monte Carlo simulations
KC Daoulas, M Müller - The Journal of chemical physics, 2006 - pubs.aip.org
The description of fluctuations by single chain in mean field (SCMF) simulations is discussed
and the results of this particle-based self-consistent field technique are quantitatively …
and the results of this particle-based self-consistent field technique are quantitatively …
Molecular dynamics results on the pressure tensor of polymer films
F Varnik, J Baschnagel, K Binder - The Journal of Chemical Physics, 2000 - pubs.aip.org
Polymeric thin films of various thicknesses, confined between two repulsive walls, have
been studied by molecular dynamics simulations. Using the anisotropy of the perpendicular …
been studied by molecular dynamics simulations. Using the anisotropy of the perpendicular …
Incorporating fluctuations and dynamics in self-consistent field theories for polymer blends
We review various methods to investigate the statics and the dynamics of collective
composition fluctuations in dense polymer mixtures within fluctuating-field approaches. The …
composition fluctuations in dense polymer mixtures within fluctuating-field approaches. The …
A density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of state
J Gross - The Journal of chemical physics, 2009 - pubs.aip.org
A Helmholtz energy functional for inhomogeneous fluid phases based on the perturbed-
chain polar statistical associating fluid theory (PCP-SAFT) equation of state is proposed. The …
chain polar statistical associating fluid theory (PCP-SAFT) equation of state is proposed. The …