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Stable catalyst design for the activation of methane to syngas, hydrogen, and chemicals


    Problem Statement

    Methane and light alkanes are species with relatively poor economic interest. Our goal is to activate C–H σ-bond to produce hydrogen, olefins, carbon monoxide, and carbon nanofibers, following different process strategies such as oxidative coupling (for olefins), CO2 dry reforming (for syngas), cracking or catalytic decomposition (for hydrogen-free of COx and sequestrated carbon nanotubes/nanofibers), cracking/co-cracking with CO or methanol. We work on developing, synthesizing, characterizing, and testing innovative catalysts with a twist of reaction engineering concepts, with a focus on multi-scale implications.

    We delve into the mechanistic insights into a series of in-house-synthesized metal-supported heterogeneous catalysts by combining them with dynamic reactors and ab initio calculations. We explore catalysts with extended lifetimes, enhanced activity, selectivity, and heat transfer. These catalysts are based on alloys-intermetallics, high entropy alloys, exsolved perovskites, and SiC, among others.

    We investigate novel reactor designs based on forced-dynamic, operando, and fluidized-bed reactors to amplify kinetic information and improve selectivity.

    CHA2023

    Goals

    • Develop a microkinetic-based modeling framework to analyze the catalyst performance
    • Scale the technical catalyst for its application in demanding exothermic (oxidative coupling of methane using SiC and spray drying) or fluidized-bed (catalytic decomposition of methane) conditions
    • Develop new catalytic concepts based on Ni-alloys (Ni-Fe, -Co, -Zn…)
    • Improve the catalyst structure-function correlations using in-situ, operando, and dynamic techniques and reactors

    Related People

    Abdulrahman Mubarak Alsaiari
    Seba Alareeqi
    Vijay V. Kumar

    Related Publications

    Mitigating Coking in Ni-Based Catalyst for Dry Reforming Through Dynamic Modulations and High-Entropy Alloys

    by Bai, Mohamed, Yao, Velisoju, Melinte, Davaasuren, Hedhili, Telalovic, Castaño
    Appl. Catal. B: Environ. Year: 2026 DOI: https://doi.org/10.1016/j.apcatb.2026.126900

    Abstract

    Ni-based alloy catalysts undergo dynamic structural changes during the dry reforming of methane (DRM), which impact their activity, stability, and resistance to coke formation. We systematically investigate the structural dynamics of La2O3-supported monometallic Ni, quaternary FeCoNiCu, and quinary FeCoNiCuMo catalysts, correlating these changes with catalyst properties and DRM performance. The quinary FeCoNiCuMo catalyst exhibits superior catalytic stability and coke resistance compared to the quaternary and monometallic Ni catalysts during 30 h on stream at 700 °C. Advanced dynamic characterizations reveal that multi-metallic alloying enhances coke oxidation by accelerating La2O3 ↔ La2O2CO3 redox cycling, increasing the concentration and mobility of active oxygen, and improving CO2 activation. These effects suppress CH4 decomposition by diluting Ni sites. This dual functionality establishes a self-sustaining redox cycle that balances coke formation and oxidation, accounting for the exceptional coke resistance observed in the high-entropy FeCoNiCuMo alloy catalyst. These findings provide fundamental insights into designing stable, coke-resistant DRM catalysts through controlled structural modulation and operando characterization under realistic conditions.

    Keywords

    HCE CRE CHA