Microkinetic Modeling to Decode Catalytic Reactions and Empower Catalytic Design
Abstract: Kinetic model development is integral for designing, redesigning, monitoring, and optimizing chemical processes. Of the various approaches used within this field, microkinetic modeling is a crucial tool that focuses on surface events to analyze overall and preferential reaction pathways. This work covers noticeable features of microkinetic modeling for three critical case studies: (i) ammonia to hydrogen, (ii) oxidative coupling of methane to chemicals, and (iii) carbon dioxide hydrogenation for methanol synthesis. We analyze how microkinetic modeling enables predicting and optimizing complex reaction networks, allowing the design of efficient and tailored catalysts with enhanced activity and selectivity.
- Location
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Deutsche Nationalbibliothek Frankfurt am Main
- Extent
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Online-Ressource
- Language
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Englisch
- Bibliographic citation
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Microkinetic Modeling to Decode Catalytic Reactions and Empower Catalytic Design ; day:22 ; month:04 ; year:2024 ; extent:11
ChemCatChem ; (22.04.2024) (gesamt 11)
- Creator
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Kulkarni, Shekhar R.
Lezcano, Gontzal
Velisoju, Vijay Kumar
Realpe, Natalia
Castaño, Pedro
- DOI
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10.1002/cctc.202301720
- URN
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urn:nbn:de:101:1-2404231408431.937365834597
- Rights
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Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
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14.08.2025, 10:49 AM CEST
Data provider
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Kulkarni, Shekhar R.
- Lezcano, Gontzal
- Velisoju, Vijay Kumar
- Realpe, Natalia
- Castaño, Pedro
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Catalytic Wittig and aza-Wittig reactions
Catalytic Radical Reactions of Unsaturated Sugars
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Quantum mechanical modeling of surface reactions in storage catalytic converters
Resonance forcing in catalytic surface reactions
Catalytic Conia-ene and related reactions
Catalytic Wittig and aza-Wittig reactions
Catalytic Radical Reactions of Unsaturated Sugars
Heterogeneous catalytic redox reactions : fundamentals and applications
Polymeric Reactors for Catalytic Reactions beyond Earth