Molecular adsorption on liquid surfaces in motion introduces unusual and interesting aspects of surface chemistry. Dehydrogenation of methane on high temperature liquid metals and salt surfaces is studied to facilitate the pyrolysis of methane to produce molecular hydrogen and solid carbon. In a liquid environment the carbon may be readily separated and removed continuously allowing processes for the carbon dioxide-free production of hydrogen from natural gas. The turnover frequency of methane on metal alloys is observed to strongly depend on the alloy composition. The relative reactivities were investigated by density functional theory (DFT) and <i>ab initio</i> molecular dynamics (AIMD) simulations and the experimental observations correlated to charge transfer between the alloying elements. A similar approach was used to understand the observed methane reactivity differences observed in monovalent and polyvalent halide molten salt surfaces. The catalytic liquid surfaces are found to facilitate both complete dehydrogenation, and the production of methyl radicals to increase the gas phase methane decomposition. The results have pointed to possible applications of high temperature liquids for transforming natural gas into molecular hydrogen fuels without carbon oxides.

Interactions of methane on and near high-temperature liquid surfaces

2019 Fall National Meeting

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