Design of effective zeolite catalysts for the complete hydrogenation of CO2.
Chan B., Radom, L.
School of Chemistry, University of Sydney, Sydney, NSW 2006, Australia. chan_b@chem.usyd.edu.au
Ab initio molecular orbital calculations have been applied to the study of the three-stage zeolite-catalyzed hydrogenation of CO2 to methanol. The results present strong evidence that appropriate chemical modifications to ZSM-5 can lead to significantly lower energy barriers for the three component reactions, that is, hydrogenation of CO2, HCO2H, and CH2O. Zeolites incorporating either Na+ or Ge are more effective catalysts than conventional acidic zeolites for the hydrogenation of CO2 to give HCO2H, but amine-based zeolites do not lead to significantly lower barriers for any of the three hydrogenation reactions. However, we predict that when all three features, namely, Na+, N, and Ge, are incorporated in the zeolite, there is a dramatic improvement in catalytic activity for all three reactions.
J. Am. Chem. Soc., 2008 Jul 30;130(30):9790-9.
Zeolite-catalyzed hydrogenation of carbon dioxide and ethene.
Chan B., Radom, L.
School of Chemistry and Centre of Excellence for Free Radical Chemistry and Biotechnology, University of Sydney, Sydney, NSW 2006, Australia.
Ab initio molecular orbital theory and density functional theory calculations have been used to study the three-stage zeolite-catalyzed hydrogenation of CO2 to methanol and the hydrogenation of C2H 4 to ethane, with the aim of designing an effective zeolite catalyst for these reactions. ... . It is found that appropriately designed zeolites can provide excellent catalysis for these reactions, particularly for the hydrogenation of CO2, HCO2H and CH2O, ... . We propose that alkali metal zeolites ... could be very effective catalysts for hydrogenation processes.
The Institute of Applied Energy, Shinbashi SY BLDG. 14-2 Nishishinbashi 1-chome, Minato-ku, Tokyo 105-0003, Japan
The Institute of Applied Energy, 2-17, Tsukisamu-Higashi, Toyohira-ku, Sapporo 062-8517, Japan
Institute of Technology, Penta-Ocean Construction Co., Ltd., 1534-1, Yonku-cho, Nishinasuno-machi, Nasu-gun, Tochigi 329-2746, Japan