Research Library

Premium Molecular dynamics simulation study of the dynamics of fluids at solid‐liquid interfaces
Winkler Roland G.,
Schmid Rolf H.,
Reineker Peter
Publication year1996
Publication title
macromolecular symposia
Resource typeJournals
PublisherHüthig & Wepf Verlag
Abstract The dynamics of fluids at solid‐liquid interfaces is investigated. In particular, we consider a simple Lennard‐Jones fluid as well as a melt of hexadecane chains. For the Lennard‐Jones fluid, the numerical results are compared with analytical calculations based on the diffusion equation, which shows that the numerical results can very well by described by the solution of the diffusion equation for reflecting surfaces. The diffusion coefficient is practically independent of the position within the film, although the fluid is inhomogeneous perpendicular to the surface. In contrast, the dynamics of the centers of mass of hexadecane molecules perpendicular to repulsive surfaces is severely slowed down due to their extended and anisotropic nature and cannot be described by a single particle diffusion equation.
Subject(s)acoustics , anisotropy , business , chemistry , computational chemistry , diffusion , diffusion equation , dynamics (music) , economics , economy , geology , geometry , hexadecane , lennard jones potential , marketing , materials science , mathematics , molecular dynamics , oceanography , optics , organic chemistry , particle (ecology) , perpendicular , physics , self diffusion , self service , service (business) , thermodynamics
SCImago Journal Rank0.257

Seeing content that should not be on Zendy? Contact us.

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here