Langevin and fOkker-Planck analyses of inhibited molecular passing processes controlling transport and reactivity in nanoporous materials

Inhibited passing of reactant and product molecules within the linear pores of nanoporous catalytic materials strongly reduces reactivity. The dependence of the passing propensity P on pore radius R is analyzed utilizing Langevin dynamics to account for solvent effects. We find that P ∼ (R-R(c))(σ),...

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Veröffentlicht in:	Physical review letters 2014-07, Vol.113 (3), p.038301-038301, Article 038301
Hauptverfasser:	Wang, Chi-Jen, Ackerman, David M, Slowing, Igor I, Evans, James W
Format:	Artikel
Sprache:	eng
Schlagworte:	Catalysts Conformal mapping Degrees of freedom Diffusion Elongation MATERIALS SCIENCE Mathematical analysis Models, Chemical Nanopores Nanostructure Porosity Reduction
Online-Zugang:	Volltext
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