首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Local Viscosity in the Vicinity of a Wall Coated by Polymer Brush from Green–Kubo Relations
Authors:Dimitar I Dimitrov  Andrey Milchev  Kurt Binder
Abstract: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 ηb(z) and shear viscosity ηs(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.
image

Keywords:molecular dynamics (MD)  pressure tensor  shear viscosity  viscosity
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号