microkinetic modeling Latest Research Papers

Quantifying Effects of Active Site Proximity on Rates of Methanol Dehydration to Dimethyl Ether over Chabazite Zeolites through Microkinetic Modeling

ACS Materials Au ◽

10.1021/acsmaterialsau.1c00057 ◽

2021 ◽

Author(s):

Grant Marsden ◽

Pavlo Kostetskyy ◽

Ryoh-Suke Sekiya ◽

Alexander Hoffman ◽

Songhyun Lee ◽

...

Keyword(s):

Dimethyl Ether ◽

Active Site ◽

Methanol Dehydration ◽

Microkinetic Modeling

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Microkinetic modeling of CO2 reduction on Pt in a solid oxide electrolysis cell

Electrochimica Acta ◽

10.1016/j.electacta.2021.139742 ◽

2021 ◽

pp. 139742

Author(s):

Vinod M. Janardhanan ◽

Dayadeep S. Monder

Keyword(s):

Co2 Reduction ◽

Solid Oxide ◽

Electrolysis Cell ◽

Microkinetic Modeling ◽

Solid Oxide Electrolysis ◽

Solid Oxide Electrolysis Cell

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Descriptor-Based Microkinetic Modeling and Catalyst Screening for CO Hydrogenation

ACS Catalysis ◽

10.1021/acscatal.1c04347 ◽

2021 ◽

pp. 14545-14560

Author(s):

Yalan Wang ◽

Xiaoli Yang ◽

Ling Xiao ◽

Yanying Qi ◽

Jia Yang ◽

...

Keyword(s):

Co Hydrogenation ◽

Microkinetic Modeling ◽

Catalyst Screening

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Activity and Stability of Alloyed NiCo Catalyst for the Dry Reforming of Methane: A Combined DFT and Microkinetic Modeling Study

Catalysis Today ◽

10.1016/j.cattod.2021.11.016 ◽

2021 ◽

Author(s):

Shuyue Chen ◽

Bo Yang

Keyword(s):

Dry Reforming ◽

Dry Reforming Of Methane ◽

Microkinetic Modeling ◽

Modeling Study

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Dynamic Microkinetic Modeling for Heterogeneously Catalyzed Hydrogenation Reactions: a Coverage-Oriented View

ACS Omega ◽

10.1021/acsomega.1c03292 ◽

2021 ◽

Author(s):

Runcong Liu

Keyword(s):

Microkinetic Modeling ◽

Hydrogenation Reactions

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Alloying Effect on the C-C Coupling Reactions in Acetylene Hydrogenation by Palladium-Coinage Metal Alloys, A DFT Study and Microkinetic Modeling

Applied Surface Science ◽

10.1016/j.apsusc.2021.151513 ◽

2021 ◽

pp. 151513

Author(s):

Yugai Huang ◽

Zhao-Xu Chen

Keyword(s):

Metal Alloys ◽

Dft Study ◽

Coupling Reactions ◽

Microkinetic Modeling ◽

Alloying Effect ◽

Acetylene Hydrogenation ◽

Coinage Metal

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Plasma Catalysis for Ammonia Synthesis: A Microkinetic Modeling Study on the Contributions of Eley–Rideal Reactions

ACS Sustainable Chemistry & Engineering ◽

10.1021/acssuschemeng.1c02713 ◽

2021 ◽

Vol 9 (39) ◽

pp. 13151-13163 ◽

Cited By ~ 1

Author(s):

Yannick Engelmann ◽

Kevin van ’t Veer ◽

Yury Gorbanev ◽

Erik Cornelis Neyts ◽

William F. Schneider ◽

...

Keyword(s):

Ammonia Synthesis ◽

Plasma Catalysis ◽

Microkinetic Modeling ◽

Modeling Study

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Catalyst Design for Selective Hydrogenation of Benzene to Cyclohexene through Density Functional Theory and Microkinetic Modeling

ACS Catalysis ◽

10.1021/acscatal.1c02630 ◽

2021 ◽

pp. 11831-11842

Author(s):

Haoran He ◽

Randall J. Meyer ◽

Robert M. Rioux ◽

Michael J. Janik

Keyword(s):

Density Functional Theory ◽

Selective Hydrogenation ◽

Density Functional ◽

Catalyst Design ◽

Microkinetic Modeling ◽

Functional Theory

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First-Principles-Based Microkinetic Modeling of Methane Steam Reforming with Improved Description of Product Desorption

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c05745 ◽

2021 ◽

Vol 125 (34) ◽

pp. 18743-18751 ◽

Cited By ~ 1

Author(s):

Wen Zhu ◽

Bo Yang

Keyword(s):

Steam Reforming ◽

First Principles ◽

Methane Steam Reforming ◽

Microkinetic Modeling ◽

Methane Steam

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Microkinetic Modeling in Electrocatalysis: Applications, Limitations, and Recommendations for Reliable Mechanistic Insights

Journal of Catalysis ◽

10.1016/j.jcat.2021.08.043 ◽

2021 ◽

Author(s):

Adam Baz ◽

Sean T. Dix ◽

Adam Holewinski ◽

Suljo Linic

Keyword(s):

Microkinetic Modeling

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microkinetic modeling
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

Quantifying Effects of Active Site Proximity on Rates of Methanol Dehydration to Dimethyl Ether over Chabazite Zeolites through Microkinetic Modeling

Microkinetic modeling of CO2 reduction on Pt in a solid oxide electrolysis cell

Descriptor-Based Microkinetic Modeling and Catalyst Screening for CO Hydrogenation

Activity and Stability of Alloyed NiCo Catalyst for the Dry Reforming of Methane: A Combined DFT and Microkinetic Modeling Study

Dynamic Microkinetic Modeling for Heterogeneously Catalyzed Hydrogenation Reactions: a Coverage-Oriented View

Alloying Effect on the C-C Coupling Reactions in Acetylene Hydrogenation by Palladium-Coinage Metal Alloys, A DFT Study and Microkinetic Modeling

Plasma Catalysis for Ammonia Synthesis: A Microkinetic Modeling Study on the Contributions of Eley–Rideal Reactions

Catalyst Design for Selective Hydrogenation of Benzene to Cyclohexene through Density Functional Theory and Microkinetic Modeling

First-Principles-Based Microkinetic Modeling of Methane Steam Reforming with Improved Description of Product Desorption

Microkinetic Modeling in Electrocatalysis: Applications, Limitations, and Recommendations for Reliable Mechanistic Insights

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microkinetic modelingRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Quantifying Effects of Active Site Proximity on Rates of Methanol Dehydration to Dimethyl Ether over Chabazite Zeolites through Microkinetic Modeling

Microkinetic modeling of CO2 reduction on Pt in a solid oxide electrolysis cell

Descriptor-Based Microkinetic Modeling and Catalyst Screening for CO Hydrogenation

Activity and Stability of Alloyed NiCo Catalyst for the Dry Reforming of Methane: A Combined DFT and Microkinetic Modeling Study

Dynamic Microkinetic Modeling for Heterogeneously Catalyzed Hydrogenation Reactions: a Coverage-Oriented View

Alloying Effect on the C-C Coupling Reactions in Acetylene Hydrogenation by Palladium-Coinage Metal Alloys, A DFT Study and Microkinetic Modeling

Plasma Catalysis for Ammonia Synthesis: A Microkinetic Modeling Study on the Contributions of Eley–Rideal Reactions

Catalyst Design for Selective Hydrogenation of Benzene to Cyclohexene through Density Functional Theory and Microkinetic Modeling

First-Principles-Based Microkinetic Modeling of Methane Steam Reforming with Improved Description of Product Desorption

Microkinetic Modeling in Electrocatalysis: Applications, Limitations, and Recommendations for Reliable Mechanistic Insights

microkinetic modeling
Recently Published Documents