CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends-Reference-Cited by-同舟云学术

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CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends

Published:2015-02-17 Issue:3 Volume:145 Page:794-807
ISSN:1011-372X
Container-title:Catalysis Letters
language:en
Short-container-title:Catal Lett

Author:

Medford Andrew J.,Shi Chuan,Hoffmann Max J.,Lausche Adam C.,Fitzgibbon Sean R.,Bligaard Thomas,Nørskov Jens K.

Publisher

Springer Science and Business Media LLC

Subject

General Chemistry,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s10562-015-1495-6.pdf

Reference59 articles.

1. Dumesic JA, Rudd DF, Aparicio LM et al (1994) The microkinetics of heterogeneous catalysis. AIChE J 40:1085–1087

2. Davis ME, Davis RJ (2003) Fundamentals of chemical reaction engineering. Chapter 7. McGraw-Hill, New York

3. Deutschmann O (2011) Modeling and simulation of heterogeneous catalytic reactions: from the molecular process to the technical system. Wiley, Weinheim

4. Stoltze P (2000) Microkinetic simulation of catalytic reactions. Prog Surf Sci 65:65–150. doi: 10.1016/S0079-6816(00)00019-8

5. Reuter K, Scheffler M (2006) First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: application to the CO oxidation at RuO2(110). Phys Rev B 73:045433. doi: 10.1103/PhysRevB.73.045433

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