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Conversion Reactions in Surface-Functionalized Mesoporous Materials: Effect of Restricted Transport and Catalytic Site Distribution

Published online by Cambridge University Press:  23 February 2012

Jing Wang ,
David M. Ackerman ,
Kapil Kandel ,
Igor I. Slowing ,
Marek Pruski  and
James W. Evans
Jing Wang
Affiliation:
Ames Laboratory – USDOE, Iowa State University, Ames, IA 50011, U.S.A. Departments of Mathematics, Iowa State University, Ames, IA 50011, U.S.A.
David M. Ackerman
Affiliation:
Ames Laboratory – USDOE, Iowa State University, Ames, IA 50011, U.S.A. Departments of Chemistry, Iowa State University, Ames, IA 50011, U.S.A.
Kapil Kandel
Affiliation:
Ames Laboratory – USDOE, Iowa State University, Ames, IA 50011, U.S.A. Departments of Chemistry, Iowa State University, Ames, IA 50011, U.S.A.
Igor I. Slowing
Affiliation:
Ames Laboratory – USDOE, Iowa State University, Ames, IA 50011, U.S.A.
Marek Pruski
Affiliation:
Ames Laboratory – USDOE, Iowa State University, Ames, IA 50011, U.S.A. Departments of Chemistry, Iowa State University, Ames, IA 50011, U.S.A.
James W. Evans
Affiliation:
Ames Laboratory – USDOE, Iowa State University, Ames, IA 50011, U.S.A. Departments of Mathematics, Iowa State University, Ames, IA 50011, U.S.A. Departments of Physics & Astronomy, Iowa State University, Ames, IA 50011, U.S.A.
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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.

Keywords

catalyticinfiltration (chemical reaction)diffusion
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1423: Symposium RR – Dynamics in Confined Systems and Functional Interfaces , 2012 , mrsf11-1423-rr06-06
Copyright
Copyright © Materials Research Society 2012

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References

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