Ethane Dehydrogenation on Single and Dual Centers of Ga-modified γ-Al 2 O 3 | AIChE

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Ethane Dehydrogenation on Single and Dual Centers of Ga-modified γ-Al 2 O 3

TitleEthane Dehydrogenation on Single and Dual Centers of Ga-modified γ-Al 2 O 3
Publication TypeJournal Article
Year of Publication2021
AuthorsBatchu, SPraneet, Wang, H-L, Chen, W, Zheng, W, Caratzoulas, S, Lobo, RF, Vlachos, DG
JournalACS Catalysis
Pagination1380–1391
Date Publishedjan
ISSN2155-5435
Keywords8.3, dehydrogenation, density-functional theory, Ethane, Ga doping, Ga-modified alumina, grafted-Ga, Intensified Process Fundamentals, Kinetics, microkinetic modeling, Project 8.3
Abstract

Density-functional theory calculations and microkinetic analysis are used to investigate the efficacy of Ga-modified γ-Al2O3 (110) surfaces for the catalytic dehydrogenation of ethane and elucidate...
URLhttps://pubs.acs.org/doi/abs/10.1021/acscatal.0c03536
DOI10.1021/acscatal.0c03536