RCTS Differential Equations Seminar
DATE	2015-12-24　14:10-15:00
PLACE	數學館3F會議室
SPEAKER	王棋仁 助理教授（School of Mathematics, Georgia Tech.）
TITLE	Langevin and Fokker-Planck Analyses of Inhibited Molecular Passing Processes in Nanoporous Materials.
ABSTRACT	Abstract: Inhibited passing of reactant and product molecules within the linear pores of nanoporous catalytic materials strongly reduces reactivity. The dependence of the molecule passing propensity P on pore radius R is analyzed utilizing Langevin dynamics to account for solvent effects. We find that P~(R-Rc)^(-s), where no passing for R≤Rc, with s below the transition state theory value. The high-dimensional Fokker-Planck analysis facilitates an effective small-P approximation, and dimensional reduction enables utilization of conformal mapping ideas. We analyze passing for spherical molecules and also assess the effect of rotational degrees of freedom for elongated molecules