Molecular-level understanding of WGS and reverse WGS reactions on Rh through hierarchical multiscale approach

Chemical Engineering Science

Volumn 74, Issue , 2012, Pages 296-299

  Maestri, Matteo ^a,b   Reuter, Karsten ^b  

^a POLITECNICO DI MILANO   (Italy)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

First principles calculations; Multiscale modeling; Reaction mechanism; Reverse water gas shift reaction; Rh; Water gas shift reaction

Indexed keywords

FIRST-PRINCIPLES CALCULATION; MULTI-SCALE MODELING; REACTION MECHANISM; REVERSE WATER-GAS SHIFT REACTION; WATER-GAS-SHIFT REACTIONS;

CALCULATIONS; CARBON DIOXIDE; RHODIUM;

WATER GAS SHIFT;

EID: 84858716833     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2012.02.043     Document Type: Article

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