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RESEARCH PRODUCT
Local Viscosity in the Vicinity of a Wall Coated by Polymer Brush from Green-Kubo Relations
Andrey MilchevAndrey MilchevD. I. DimitrovKurt Bindersubject
Quantitative Biology::BiomoleculesPolymers and PlasticsCondensed matter physicsChemistryOrganic ChemistryVolume viscositySubstrate (electronics)Condensed Matter PhysicsPolymer brushGreen–Kubo relationsPhysics::Fluid DynamicsCondensed Matter::Soft Condensed MatterInorganic ChemistryViscosityMolecular dynamicsMaterials ChemistryPerpendicularPhysical chemistryMacromoleculedescription
When fluids are confined in slit pores between parallel walls, their static structures and their dynamical properties exhibit inhomogeneity in the z-direction perpendicular to the wall. Of particular interest are local bulk viscosity η b (z) and shear viscosity η s (z). Here, we discuss an algorithm to estimate these quantities from Green-Kubo relations using equilibrium molecular dynamics. As an application example, a polymer brush (macromolecules end-grafted to a substrate at z= 0) interacting with a solvent formed from point-like particles is given.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2008-08-25 | Macromolecular Theory and Simulations |