The Mechanism Of Free Radical Reforming Reaction Of CH4 And CO2

The mechanism of CH4-CO2 free radical reforming was investigated by DFT and B3LYP methods. The gained results have indicated that the main dehydrogenation of CHx were lost hydroxide atom step by step.The form process of carboxyl was very easy. The decomposition of the carboxyl or the compound included carboxyl were direct decomposition into carbon monoxide at low temperature. The intermediate as center dot COOH and CH3COO center dot were also easy to take place the decomposited into carbon monoxide or CH3O.The hydroxide radical also could combine CH3 center dot,CH2 center dot,CH center dot into sterols. The decomposition of CHxO(x not equal 3) is easy and through direct dehydrogenation. The decomposition of methanol were three channels and it can creat H-2, C2H6, H2O.