Microkinetic Modeling of Surface Catalysis

Handbook of Materials Modeling ◽

10.1007/978-3-319-44680-6_5 ◽

2020 ◽

pp. 1377-1404

Author(s):

Gerhard R. Wittreich ◽

Konstantinos Alexopoulos ◽

Dionisios G. Vlachos

Keyword(s):

Microkinetic Modeling ◽

Surface Catalysis

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Microkinetic Modeling of Surface Catalysis

Handbook of Materials Modeling ◽

10.1007/978-3-319-50257-1_5-1 ◽

2018 ◽

pp. 1-28 ◽

Author(s):

Gerhard R. Wittreich ◽

Konstantinos Alexopoulos ◽

Dionisios G. Vlachos

Keyword(s):

Microkinetic Modeling ◽

Surface Catalysis

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Coupling Euler–Euler and Microkinetic Modeling for the Simulation of Fluidized Bed Reactors: an Application to the Oxidative Coupling of Methane

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.0c05845 ◽

2021 ◽

Author(s):

Daniele Micale ◽

Riccardo Uglietti ◽

Mauro Bracconi ◽

Matteo Maestri

Keyword(s):

Fluidized Bed ◽

Oxidative Coupling ◽

Oxidative Coupling Of Methane ◽

Fluidized Bed Reactors ◽

Microkinetic Modeling

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Nature and identity of the active site via structure-dependent microkinetic modeling: an application to WGS and reverse WGS reactions on Rh

Catalysis Today ◽

10.1016/j.cattod.2021.05.016 ◽

2021 ◽

Author(s):

Raffaele Cheula ◽

Matteo Maestri

Keyword(s):

Active Site ◽

Microkinetic Modeling

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Evaluating the Benefits of Kinetic Monte Carlo and Microkinetic Modeling for Catalyst Design Studies in the Presence of Lateral Interactions

Catalysis Today ◽

10.1016/j.cattod.2021.03.010 ◽

2021 ◽

Author(s):

Xiao Li ◽

Lars C. Grabow

Keyword(s):

Monte Carlo ◽

Kinetic Monte Carlo ◽

Catalyst Design ◽

Lateral Interactions ◽

Microkinetic Modeling ◽

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Quantitative Studies of the Key Aspects in Selective Acetylene Hydrogenation on Pd(111) by Microkinetic Modeling with Coverage Effects and Molecular Dynamics

ACS Catalysis ◽

10.1021/acscatal.0c05345 ◽

2021 ◽

Vol 11 (7) ◽

pp. 4094-4106 ◽

Author(s):

Wenbo Xie ◽

Jiayan Xu ◽

Yunxuan Ding ◽

P. Hu

Keyword(s):

Molecular Dynamics ◽

Microkinetic Modeling ◽

Acetylene Hydrogenation ◽

Quantitative Studies ◽

Coverage Effects ◽

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Numerical Evaluation of Surface Catalysis on Silica Surface in a Shock Tube Using CFD Analysis

10.2514/6.2022-2021 ◽

2022 ◽

Author(s):

Yosheph Yang ◽

Jaegang Kim

Keyword(s):

Numerical Evaluation ◽

Silica Surface ◽

Cfd Analysis ◽

Surface Catalysis

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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 ◽

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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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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 ◽

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Effects of Thermochemistry, Nonequilibrium, and Surface Catalysis on the Design of Hypersonic Vehicles

Hypersonics ◽

10.1007/978-1-4684-9187-6_8 ◽

1989 ◽

pp. 355-427 ◽

Author(s):

Carl D. Scott

Keyword(s):

Hypersonic Vehicles ◽

Surface Catalysis

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