Noncatalytic Oxidative Coupling of Methane (OCM): Gas-Phase Reactions in a Jet Stirred Reactor (JSR)

Haoyi Wang, Can Shao, Jorge Gascon, Kazuhiro Takanabe, Mani Sarathy

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11 Scopus citations


Oxidative coupling of methane (OCM) is a promising technique for converting methane to higher hydrocarbons in a single reactor. Catalytic OCM is known to proceed via both gas-phase and surface chemical reactions. It is essential to first implement an accurate gas-phase model and then to further develop comprehensive homogeneous–heterogeneous OCM reaction networks. In this work, OCM gas-phase kinetics using a jet-stirred reactor are studied in the absence of a catalyst and simulated using a 0-D reactor model. Experiments were conducted in OCM-relevant operating conditions under various temperatures, residence times, and inlet CH4/O2 ratios. Simulations of different gas-phase models related to methane oxidation were implemented and compared against the experimental data. Quantities of interest (QoI) and rate of production analyses on hydrocarbon products were also performed to evaluate the models. The gas-phase models taken from catalytic reaction networks could not adequately describe the experimental gas-phase performances. NUIGMech1.1 was selected as the most comprehensive model to describe the OCM gas-phase kinetics; it is recommended for further use as the gas-phase model for constructing homogeneous–heterogeneous reaction networks.
Original languageEnglish (US)
JournalACS Omega
StatePublished - Nov 30 2021

Bibliographical note

KAUST Repository Item: Exported on 2021-12-14
Acknowledgements: The work at King Abdullah University of Science and Technology (KAUST) is supported by the Office of Sponsored Research with funding from the Clean Combustion Research Center and KAUST Catalysis Center.


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