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

Xu, Dandan; Abdelrahman, Omar; Ahn, Sang Hyun; Guefrachi, Yasmine; Kuznetsov, Anatoliy; Ren, Limin; Hwang, Sonjong; Khaleel, Maryam; Al Hassan, Saeed; Liu, Dongxia; Hong, Suk Bong; Dauenhauer, Paul; Tsapatsis, Michael

doi:10.1002/aic.16503

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

Journal Article · Wed Jan 02 00:00:00 EST 2019 · AIChE Journal

DOI:https://doi.org/10.1002/aic.16503· OSTI ID:1489321

^[1]; Abdelrahman, Omar ^[1]; Ahn, Sang Hyun ^[2]; Guefrachi, Yasmine ^[1]; Kuznetsov, Anatoliy ^[1]; Ren, Limin ^[1]; Hwang, Sonjong ^[3]; Khaleel, Maryam ^[4]; Al Hassan, Saeed ^[4]; Liu, Dongxia ^[5]; Hong, Suk Bong ^[2]; ^[1]; ^[6]

Dept. of Chemical Engineering and Materials Science University of Minnesota Minneapolis Minnesota 55414
Division of Environmental Science and Engineering Pohang University of Science and Technology Pohang Korea 37673
Division of Chemistry and Chemical Engineering California Institute of Technology Pasadena California 91125
Dept. of Chemical Engineering, The Petroleum Institute Khalifa University of Science and Technology Abu Dhabi UAE
Dept. of Chemical and Biomolecular Engineering University of Maryland College Park Maryland 20740
Dept. of Chemical Engineering and Materials Science University of Minnesota Minneapolis Minnesota 55414, Dept. of Chemical and Biomolecular Engineering Johns Hopkins University Baltimore Maryland 21218, Institute for NanoBioTechnology Johns Hopkins University Baltimore Maryland 21218

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. © 2018 American Institute of Chemical Engineers AIChE J , 65: 1067–1075, 2019

View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0001004

OSTI ID:: 1489321

Alternate ID(s):: OSTI ID: 1566399

Journal Information:: AIChE Journal, Journal Name: AIChE Journal Journal Issue: 3 Vol. 65; ISSN 0001-1541

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: United States

Language:: English

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