Open Access. Powered by Scholars. Published by Universities.®

Physics Commons

Open Access. Powered by Scholars. Published by Universities.®

Iowa State University

Series

Chemistry Publications

Statistical mechanics models

2018

Articles 1 - 1 of 1

Full-Text Articles in Physics

Pore Diameter Dependence Of Catalytic Activity: P-Nitrobenzaldehyde Conversion To An Aldol Product In Amine-Functionalized Mesoporous Silica, Andres Garcia, Igor I. Slowing, James W. Evans Jul 2018

Pore Diameter Dependence Of Catalytic Activity: P-Nitrobenzaldehyde Conversion To An Aldol Product In Amine-Functionalized Mesoporous Silica, Andres Garcia, Igor I. Slowing, James W. Evans

Chemistry Publications

The reaction yield for conversion of p-nitrobenzaldehyde (PNB) to an aldol product in amine-functionalized mesoporous silica nanoparticles (MSN) exhibits a 20-fold enhancement for a modest increase in pore diameter, d. This enhanced catalytic activity is shown to reflect a strong increase in the “passing propensity,” 𝒫, of reactant and product species inside the pores. We find that 𝒫 ≈ 0, corresponding to single-file diffusion, applies for the smallest d which still significantly exceeds the linear dimensions of PNB and the aldol product. However, in this regime of narrow pores, these elongated species must align with each other and with the pore ...