Polymer brushes on flat and curved surfaces: How computer simulations can help to test theories and to interpret experiments

K Binder, A Milchev - Journal of Polymer Science Part B …, 2012 - Wiley Online Library
Theoretical descriptions of static properties of polymer brushes are reviewed, with an
emphasis on monodisperse macromolecules grafted to planar, cylindrical, or spherical …

Polymer-brush lubrication: a review of recent theoretical advances

T Kreer - Soft Matter, 2016 - pubs.rsc.org
This review compiles recent theoretical advances to describe compressive and shear forces
of polymer-brush bilayers, which consist of two opposing brushes in contact. Such model …

[图书][B] Surface and interfacial forces

HJ Butt, M Kappl - 2018 - books.google.com
A general introduction to surface and interfacial forces, perfectly combining theoretical
concepts, experimental techniques and practical applications. In this completely updated …

Responsive polymer brushes

S Minko - Journal of Macromolecular Science, Part C: Polymer …, 2006 - Taylor & Francis
The review focuses on responsive/switching behavior of polymer brushes. The structure of
the polymer brushes is analyzed in terms of the constitution and conformation of polymer …

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 …

Polymer brushes in solvents of variable quality: Molecular dynamics simulations using explicit solvent

DI Dimitrov, A Milchev, K Binder - The Journal of chemical physics, 2007 - pubs.aip.org
The structure and thermodynamic properties of a system of end-grafted flexible polymer
chains grafted to a flat substrate and exposed to a solvent of variable quality are studied by …

Frictional forces between strongly compressed, nonentangled polymer brushes: molecular dynamics simulations and scaling theory

A Galuschko, L Spirin, T Kreer, A Johner, C Pastorino… - Langmuir, 2010 - ACS Publications
By means of molecular dynamics simulations and scaling theory we study the response of
opposing polymer brushes to constant shear motion under good solvent conditions. Model …

Polymer brushes under flow and in other out-of-equilibrium conditions

K Binder, T Kreer, A Milchev - Soft Matter, 2011 - pubs.rsc.org
Polymer brushes are formed from flexible linear macromolecules tethered at one chain end
to a solid substrate, forming a dense polymeric layer of polymer chains which are more or …

Computer simulation of bottle-brush polymers with flexible backbone: Good solvent versus theta solvent conditions

PE Theodorakis, HP Hsu, W Paul… - The Journal of chemical …, 2011 - pubs.aip.org
By molecular dynamics simulation of a coarse-grained bead-spring-type model for a
cylindrical molecular brush with a backbone chain of N b effective monomers to which with …

Comparison of dissipative particle dynamics and Langevin thermostats for out-of-equilibrium simulations of polymeric systems

C Pastorino, T Kreer, M Müller, K Binder - Physical Review E—Statistical …, 2007 - APS
In this work we compare and characterize the behavior of Langevin and dissipative particle
dynamics (DPD) thermostats in a broad range of nonequilibrium simulations of polymeric …