Effect of multiscale model uncertainty on identification of optimal catalyst properties

Journal of Catalysis

Volumn 281, Issue 2, 2011, Pages 339-344

  Ulissi, Z ^a   Prasad, V ^a,b   Vlachos, D G ^a  

^a University of Delaware   (United States)

^b UNIVERSITY OF ALBERTA   (Canada)

Author keywords

Adsorbate adsorbate interactions; Ammonia; Catalyst design; Catalyst selection; DFT; Hydrogen; Microkinetic modeling; Optimization; Uncertainty

Indexed keywords

ADSORBATE-ADSORBATE INTERACTION; CATALYST DESIGN; DFT; MICROKINETIC MODELING; UNCERTAINTY;

ADSORBATES; AMMONIA; FUEL CELLS; IDENTIFICATION (CONTROL SYSTEMS); KINETIC THEORY; KINETICS; OPTIMIZATION; UNCERTAINTY ANALYSIS;

CATALYSTS;

EID: 79960269053     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2011.05.019     Document Type: Article

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