Molecular flows2

5:55 PM - 6:15 PM JST(8:55 AM - 9:15 AM UTC)

[2-28] Development of a Reactive Force Field for Analysis of Gas Solution and Diffusion Mechanism in Polyvinylamine/Polyvinyl Alcohol Composite Membranes

*Yuiko Tomita¹, Ryotaro Togo¹, Kohei Sato¹, Ikuya Kinefuchi¹ (1. The University of Tokyo)

Keywords:

Reactive force field,Molecular dynamics,Facilitated transport membranes,Density functional theory,The solution-diffusion mechanism