Molecular Dynamics Simulation of Fluid Transport in Nanoscale Pore of Porous Medium
In this paper, the Poiseuille water flow inside a nanosized channel style pore formed by two solid parallel walls is studied using molecular dynamics (MD) simulation. Alumina has been chosen as the material of the wall. The flow is initiated by applying a uniform external force on each water molecule inside the channel. Periodic boundary conditions are imposed for the simulation. 12-6 L-J potentials are chosen in the simulation to describe H2O-H2O molecule interactions as well as H2O-Al2O3 molecule interactions. The present work aims at finding that, in the process of hemodialysis, how the filtration velocity and slip boundaries inside the pore of a filtration membrane are affected by the magnitude of the applied external force and how the results are different from that of the simplified Kedem-Ketchalsky (1958) equations employing the present physical parameters.
Molecular Dynamics Simulation Poiseuille Flow filtration velocity K-K equations
Y.Chu J.F.Lu W.Q.Lu
College of Physical Science, Graduate University of the Chinese Academy of Sciences, China Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, China
国际会议
西安
英文
895-900
2009-07-11（万方平台首次上网日期，不代表论文的发表时间）