Optimal catalyst curves: Connecting density functional theory calculations with industrial reactor design and catalyst selection

Journal of Catalysis

Volumn 205, Issue 2, 2002, Pages 382-387

  Jacobsen, Claus J H ^a   Dahl, Søren ^a   Boisen, Astrid ^a   Clausen, Bjerne S ^a   Topsøe, Henrik ^a   Logadottir, Ashildur ^b   Nørskov, Jens K ^b  

^a HALDOR TOPSØE A S   (Denmark)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

Ammonia synthesis; Catalyst selection; Density functional theory; Microkinetic model; Optimal catalyst curves; Reactor design; Volcano curve

Indexed keywords

EID: 0036008440     PISSN: 00219517     EISSN: None     Source Type: Journal    
DOI: 10.1006/jcat.2001.3442     Document Type: Article

References (32)