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Published March 2019 | Supplemental Material
Journal Article Open

A quantitative study of the structure-activity relationship in hierarchical zeolites using liquid-phase reactions

Abstract

Micro/meso/macroporous (hierarchical) zeolites show remarkable catalytic performance for reactions involving bulky reactants. However, quantitative assessment of the microstructural characteristics contributing to the observed performance remains elusive. Here, structure–activity relationships are established for a set of micro/mesoporous self‐pillared pentasil (SPP) zeolites using two parallel liquid‐phase reactions (benzyl alcohol alkylation and self‐etherification) based on analysis of mass transport and reaction kinetics. A reaction–diffusion mathematical model is developed that quantitatively assigns the catalytic contributions of the external surface and micropores of SPP zeolites for these reactions. In addition, the effect of the zeolite external surface structure on the corresponding catalytic activity is quantitatively assessed by comparing SPP zeolites (with MFI structure) with MCM‐22 (with MWW structure). This work demonstrates that reaction–diffusion modeling allows quantitative description of the catalytic performance of hierarchical zeolites and provides a model reaction to assess nm‐sized characteristic diffusion lengths in MFI.

Additional Information

© 2018 American Institute of Chemical Engineers. Issue Online: 03 February 2019; Version of Record online: 02 January 2019; Accepted manuscript online: 19 December 2018; Manuscript revised: 19 November 2018; Manuscript received: 24 August 2018. Funding Information: Petroleum Institute of Abu Dhabi, part of Khalifa University of Science and Technology; National Science Foundation, Grant Number: CBET‐1264599; National Research Foundation of Korea, Grant Number: 2012R1A3A2048833; University of Minnesota; Basic Energy Sciences, Office of Science, Grant Number: DE‐SC0001004, U.S. Department of Energy.

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Supplemental Material - aic16503-sup-0001-supinfo.docx

Supplemental Material - aic16503-sup-0002-tables.docx

Supplemental Material - aic16503-sup-0003-figures.docx

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