Activation of Methane in Vapor and Molten Sodium Catalyst

We used quantum chemical calculations to examine methane pyrolysis catalyzed by molten sodium. Such a reaction is performed in a bubble column filled with a molten catalyst. The ascending bubble contains methane and sodium vapor, where the reaction takes place. Therefore, the reaction is catalyzed by the liquid surface of the bubble, by the sodium vapor in the bubble, and in the headspace above the melt. We examined the rate of 24 possible reactions in the gas and concluded that gas-phase pyrolysis is ineffective. On the other hand, the liquid surface is as good a pyrolysis catalyst as any of the melts studied so far.