Selective methane-to-methanol oxidation on bimetallic transition metal surfaces

Kathryn Bjorkman*, Linda J Broadbelt

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contribution


Direct methane conversion to useful chemicals is a catalysis problem that has challenged researchers for many years. Methanol is one such desired product because of its potential use in a wide range of industrial applications, including methanol-to-olefin (MTO) processes to form ethylene and propylene, which then may be used as raw material in production of other chemicals. However, part of the challenge in converting methane to more useful products is that the products of those reactions are often more reactive than the methane itself. This results in selectivity problems and higher extents of oxidation. Nanoscale bimetallic catalytic particles have the potential to improve upon existing monometallic micro- and macroscale catalysts by introducing unique electronic and geometric structure effects to selectively convert methane to methanol while avoiding overreaction to complete oxidation products. Quantum mechanical calculation methods are used to study the binding energies of methane-derived intermediates on monometallic and bimetallic transition metal surfaces in an effort to select the best catalytic sites for selective methane-to-methanol oxidation. Linear scaling relationships between binding energies and calculated activation energy barriers are established to showcase trends for bimetallic surfaces and provide for detailed reaction pathway analysis.

Original languageEnglish (US)
Title of host publication11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings
StatePublished - Dec 1 2011
Event2011 AIChE Annual Meeting, 11AIChE - Minneapolis, MN, United States
Duration: Oct 16 2011Oct 21 2011


Other2011 AIChE Annual Meeting, 11AIChE
CountryUnited States
CityMinneapolis, MN

ASJC Scopus subject areas

  • Chemical Engineering(all)

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