Molecular flows

11:50 AM - 12:10 PM JST(2:50 AM - 3:10 AM UTC)

[E9-04] Elucidation of Gas Permeation Mechanisms in Polymer Separation Membranes via Non-Equilibrium Molecular Dynamics Simulations

*Yuiko TOMITA¹, Ryotaro Togo¹, Ikuya Kinefuchi¹ (1. The University of Tokyo)

Keywords:

Molecular Dynamics,The solution-diffusion mechanism,Facilitated transport membranes,Density Functional Theory,Non-equilibrium