Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

2012

Journal or Book Title

MRS Proceedings

Volume

1423

First Page

1

Last Page

6

DOI

10.1557/opl.2012.229

Abstract

We analyze the interplay between anomalous transport and conversion reaction kinetics in mesoporous materials functionalized with catalytic groups. Of primary interest is functionalized mesoporous silica containing an array of linear pores with diameters tunable from 2-10 nm, although functionalization can produce smaller effective diameters, d. For d < 2 nm, transport and specifically passing of reactant and product species within the pores can be strongly inhibited (single-file diffusion). The distribution of catalytic groups can also vary depending on the synthesis approach. We apply statistical mechanical modeling (utilizing spatially discrete stochastic lattice-gas models) to explore the dependence of reactivity on the extent of inhibition of passing of species within the pore, as well as on the distribution of catalytic sites.

Comments

This article is from MRS Proceedings 1423 (2012): 6 pp., doi:10.1557/opl.2012.229. Posted with permission.

Copyright Owner

Materials Research Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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