Micro-kinetics of ethylene and methane oxidation on platinum

Zuo Li, Mohamed N. Marei, Aamir Farooq, Assaad R. Masri, Alejandro Montoya

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

The kinetics of ethylene (C2H4) and methane (CH4) on platinum (Pt) is investigated in an isothermal Pt microtube. A micro-kinetic model of C1 and C2 hydrocarbon oxidation on the Pt(1 1 1) surface established using density functional theory is tuned and validated based on experimental results obtained from the Pt microtube. Density functional theory (DFT) modelling is carried out to evaluate the Pt(1 1 1) surface coverage of selected species on the thermochemistry and kinetics. The model reasonably predicts the conversion temperature and carbon selectivity of C2H4 and CH4 oxidation under various fuel-oxygen ratios. Micro-kinetic analysis based on this model illustrates that the formation of hydrocarbon oxygenates intermediates is essential, which makes the activity of surface oxygen species decisive in the catalytic activity.
Original languageEnglish (US)
Pages (from-to)142608
JournalChemical Engineering Journal
Volume464
DOIs
StatePublished - Apr 2 2023

Bibliographical note

KAUST Repository Item: Exported on 2023-04-10
Acknowledged KAUST grant number(s): OSR-CRG2018-3042
Acknowledgements: This research was supported by the Office of Sponsored Research at King Abdullah University of Science and Technology (KAUST) under the Competitive Research Grant OSR-CRG2018-3042. The Australian authors acknowledge the support of the University of Sydney. The computational resources are provided by the University of Sydney High-Performance Computer Artemis and Australian National Computation Infrastructure.

ASJC Scopus subject areas

  • Environmental Chemistry
  • General Chemical Engineering
  • General Chemistry
  • Industrial and Manufacturing Engineering

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