Theoretical study of ethanol partial oxidation for syngas production under cold plasma conditions

Abstract

In this work, pathways of partial oxidation of ethanol under cold plasma conditions have been studied by density functional theory (DFT) method. The calculation results show that the energy barrier of ethanol conversion is reduced and the conversion from ethanol to H2 and CO is promoted with the presence of O2 under cold plasma conditions. The formation of syngas is through a multi-step pathway via the methoxy radical conversion and dissociation of formaldehyde, while the recombination of H generated extra H2. The present DFT study also demonstrates that the plasma synthesis will normally lead to a formation of a mixture of syngas, hydrocarbons, and oxygenates.