Journal
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
Volume 8, Issue 15, Pages 6043-6054Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acssuschemeng.0c00906
Keywords
plasma catalysis; microkinetic modeling; vibrational excitation; radicals; catalyst design
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Funding
- University of Antwerp
- Hercules Foundation
- Flemish Government (Department EWI)
- National Science Foundation, an Engineering Research Center for the Innovative and Strategic Transformation of Alkane Resources (CISTAR) [EEC1647722]
- Eilers Graduate Fellowship of the University of Notre Dame
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The combination of catalysis and nonthermal plasma holds promise for enabling difficult chemical conversions. The possible synergy between both depends strongly on the nature of the reactive plasma species and the catalyst material. In this paper, we show how vibrationally excited species and plasma-generated radicals interact with transition metal catalysts and how changing the catalyst material can improve the conversion rates and product selectivity. We developed a microkinetic model to investigate the impact of vibrational excitations and plasma-generated radicals on the nonoxidative coupling of methane over transition metal surfaces. We predict a significant increase in ethylene formation for vibrationally excited methane. Plasma-generated radicals have a stronger impact on the turnover frequencies with high selectivity toward ethylene on noble catalysts and mixed selectivity on non-noble catalysts. In general, we show how the optimal catalyst material depends on the desired products as well as the plasma conditions.
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