Liquid-Phase Modeling in Heterogeneous Catalysis

Saleheen, Mohammad; Heyden, Andreas

doi:10.1021/acscatal.7b04367

Title: Liquid-Phase Modeling in Heterogeneous Catalysis

Journal Article · Tue Jan 30 00:00:00 EST 2018 · ACS Catalysis

DOI:https://doi.org/10.1021/acscatal.7b04367· OSTI ID:1485477

Saleheen, Mohammad ^[1];

^[1]

Univ. of South Carolina, Columbia, SC (United States). Dept. of Chemical Engineering

A perspective of liquid-phase modeling in heterogeneous catalysis together with new results on O-H bond cleavage in ethylene glycol over Pt(111) obtained by explicit solvation models.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of South Carolina, Columbia, SC (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0007167

OSTI ID:: 1485477

Alternate ID(s):: OSTI ID: 1656904

Journal Information:: ACS Catalysis, Vol. 8, Issue 3; ISSN 2155-5435

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 89 works

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Valorization of Biomass‐derived Small Oxygenates: Kinetics, Mechanisms and Site Requirements of H ₂ ‐involved Hydrogenation and Deoxygenation Pathways over Heterogeneous Catalysts Shi, Hui ChemCatChem, Vol. 11, Issue 7 https://doi.org/10.1002/cctc.201801828	journal	February 2019
Mechanistic study of the ceria supported, re-catalyzed deoxydehydration of vicinal OH groups Xi, Yongjie; Yang, Wenqiang; Ammal, Salai Cheettu Catalysis Science & Technology, Vol. 8, Issue 22 https://doi.org/10.1039/c8cy01782d	journal	January 2018
Grafting metal complexes onto amorphous supports: from elementary steps to catalyst site populations via kernel regression Khan, Salman A.; Vandervelden, Craig A.; Scott, Susannah L. Reaction Chemistry & Engineering https://doi.org/10.1039/c9re00357f	journal	January 2020
Insights into the roles of water on the aqueous phase reforming of glycerol Xie, Tianjun; Bodenschatz, Cameron J.; Getman, Rachel B. Reaction Chemistry & Engineering, Vol. 4, Issue 2 https://doi.org/10.1039/c8re00267c	journal	January 2019

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