不同氧化物催化热解煤制氢的研究

he effect of different oxides on the composition of gases from Shenfu coal pyrolysis in a fixed bed reactor was studied during a catalytic pyrolysis process. The results show that maximum yield of hydrogen was gained in the presence of Fe2O3 with a sequence in catalytic activities as: neutral oxide > basic oxide > acidic oxide. The interaction between Fe2O3 molecules and naphthalene molecule was dealt with on a quantum chemistry calculation. The calculated information shows that the catalytic mechanism is due to the electron transfer between metal ion and π orbital , as well as the negativity of oxygen.