An Efficient Microkinetic Modeling Protocol: Start with Only the Dominant Mechanisms, Adjust All Parameters, and Build the Complete Model Incrementally-Reference-Cited by-同舟云学术

An Efficient Microkinetic Modeling Protocol: Start with Only the Dominant Mechanisms, Adjust All Parameters, and Build the Complete Model Incrementally

Published:2019-04-17 Issue:6 Volume:9 Page:4804-4809
ISSN:2155-5435
Container-title:ACS Catalysis
language:en
Short-container-title:ACS Catal.

Author:

Jaraíz Martín¹²^ORCID,Rubio José E.¹,Enríquez Lourdes¹,Pinacho Ruth¹,López-Pérez José L.³⁴^ORCID,Lesarri Alberto⁵^ORCID

Affiliation:

1. Department of Electronics, ETSIT, University of Valladolid, Paseo de Belén 15, Valladolid 47011, Spain

2. IU CINQUIMA, University of Valladolid, Paseo de Belén 7, 47011 Valladolid, Spain

3. Department of Pharmacology, Faculty of Medicine, University of Panama, Panama City, Panama

4. Department of Pharmaceutical Sciences - IBSAL-CIETUS, University of Salamanca, Avda. Campo Charro s/n, Salamanca 37071, Spain

5. Department of Physical Chemistry and Inorganic Chemistry, Faculty of Sciences, University of Valladolid, Paseo Belén 7, Valladolid 47011, Spain

Funder

European Regional Development Fund

Ministerio de Econom?a y Competitividad

Castilla y Le?n

Publisher

American Chemical Society (ACS)

Subject

Catalysis,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acscatal.9b00522

Reference12 articles.

1. Mechanism of Regioselective Ring-Opening Reactions of 1,2-Epoxyoctane Catalyzed by Tris(pentafluorophenyl)borane: A Combined Experimental, Density Functional Theory, and Microkinetic Study

2. Hierarchical, multiscale surface reaction mechanism development: CO and H2 oxidation, water–gas shift, and preferential oxidation of CO on Rh

3. On the Mechanism of Low-Temperature Water Gas Shift Reaction on Copper

4. Computational Kinetics of Cobalt-Catalyzed Alkene Hydroformylation

5. Computational Modelling of Selectivity in Cobalt‐Catalyzed Propene Hydroformylation

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