Insight into the reaction mechanism of ethanol steam reforming catalysed by Co–Mo6S8

Abstract

ABSTRACTThe production of hydrogen via steam reforming of ethanol (SRE) is favourable for the use of hydrogen as an alternative fuel. Co–Mo6S8 possesses high activity and stability for SRE to sustainably produce hydrogen. The competition among reaction pathways related to C–H, O–H, C–C, C–O cleavage and H2 formation was studied. The adsorption and reaction of related intermediates in the ESR reaction pathway are described. The results indicated that the most feasible route for the decomposition of ethanol catalysed by Co–Mo6S8 is CH3CH2OH*→CH3CH2O*→CH3CHO*→CH2CHO*→CHCHO*→CHCO*→CH*+CO*. The CH* can be decomposed into C*+H*, and CO* can be oxidised via the redox mechanism of the water gas shift (WGS) reaction. Thus the final products are CO2 and H2. The present result may help people to design an SRE catalyst, which has the ability to break C–C to form CO and H2, then CO react with H2O in the WGS reaction generating CO2 and H2.