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RESEARCH PAPER · ACS Catalysis · 2025

Understanding the Effect of Platinum Particle Size on Ethane Dehydrogenation and Hydrogenolysis: Particle-Based Microkinetic Modeling at Finite Conversion

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Understanding the Effect of Platinum Particle Size on Ethane Dehydrogenation and Hydrogenolysis: Particle-Based Microkinetic Modeling at Finite ConversionOriginalStructure-dependent microkinetic modeling of the CO2 desorption with surface diffusion6Microwave-assisted high-efficiency methylcyclohexane dehydrogenation over Pt catalysts promoted by alkali metal additives0Statistical physics of coadsorption isotherms and rate processes on bimetallic alloys3Degrees of rate control and AutoDiff-driven direct sensitivity analysis in heterogeneous catalysis4Impact of microkinetic modeling assumptions on predicted kinetics and mechanisms over undercoordinated sites3A semi-flow reactor design diverts catalytic hydrogenolysis of polyolefins to metastable kinetic products1First-Principles Modeling in Heterogenous Catalysis: Where Are We?2A database for ethane dehydrogenation over heteroatom-doped graphene-supported single-atom catalysts0Trendbericht Technische Chemie 20260Sampling-Expansion Approach Enabling Efficient and Accurate Steady-State Solutions for Descriptor-Based Microkinetic Modeling2

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  1. Structure-dependent microkinetic modeling of the CO2 desorption with surface diffusion

    Journal of Catalysis · 2025-09-08

    Bjarne Kreitz, Gandhali Kogekar, Raffaele Cheula, Claude Franklin Goldsmith

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  2. Microwave-assisted high-efficiency methylcyclohexane dehydrogenation over Pt catalysts promoted by alkali metal additives

    Chemical Engineering Journal · 2025-10-27

    Zixuan Ma, Yingjie Yang, Ziyu Song, Xiaofeng Gao, Jinshang Liu, Zepeng Hou, Wenting Zhou, Chao Zhang, Siyu Yao

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  3. Statistical physics of coadsorption isotherms and rate processes on bimetallic alloys

    Journal of Catalysis · 2025-11-01

    Vladimir P. Zhdanov

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  4. Degrees of rate control and AutoDiff-driven direct sensitivity analysis in heterogeneous catalysis

    Chemical Engineering Journal · 2025-12-03

    Olajide H. Bamidele, Sina Behtash, Mubarak Bello, Andreas Heyden

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  5. Impact of microkinetic modeling assumptions on predicted kinetics and mechanisms over undercoordinated sites

    npj Computational Materials · 2025-12-04

    Mubarak Bello, Bhawana Rayamajhi, Wenqiang Yang, Andreas Heyden

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  6. A semi-flow reactor design diverts catalytic hydrogenolysis of polyolefins to metastable kinetic products

    Applied Catalysis B: Environmental · 2026-02-10

    Yiyu Wang, Ruoyu Cui, Changhae Andrew Kim, Chao Meng, Mubarak Bello, Emma L. Fetters, Emerson G. Waltz, Long Qi, Andreas Heyden, Baron Peters, Wenyu Huang, Aaron David Sadow

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  7. First-Principles Modeling in Heterogenous Catalysis: Where Are We?

    ACS Catalysis · 2026-05-26

    Mubarak Bello, Wenqiang Yang, Andreas Heyden

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  8. A database for ethane dehydrogenation over heteroatom-doped graphene-supported single-atom catalysts

    Journal of Fuel Chemistry and Technology · 2026-07-01

    Yajie Cao, Baojun WANG, Riguang Zhang

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  9. Trendbericht Technische Chemie 2026

    Nachrichten aus der Chemie · 2026-08-31

    Bjarne Kreitz

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  10. Sampling-Expansion Approach Enabling Efficient and Accurate Steady-State Solutions for Descriptor-Based Microkinetic Modeling

    ACS Catalysis · 2026-09-11

    Y.H. Liu, Tao Wang

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