I. Dancini-Pontes , M. de Souza , R.M. Pontes , N.R.C. Fernandes
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引用次数: 0
Abstract
Ethanol steam reforming (ESR) over CeO2 and Nb2O5-based supports was studied in order to determine the role played by the support in the processs of hydrogen generation for fuel cells. Temperature of calcination as well as the presence of dopants influence the chemical and physical characteristics of the supports with impact in the product mixture distribution. The CeO2 support calcined at 800 °C and the Nb2O5-Na support calcined at 500 °C presented the best results in ESR, both in terms of acidity, conversion and selectivity. While CeO2 gives predominantly hydrogen and acetone, Nb2O5 produces mores ethylene. In the two cases, however, conversion is low ( %), so that the undesired products generated by the supports may not impact too much the product mixture under the presence of an active metallic phase. Density functional calculations (DFT) show that the preference for ethylene formation in Nb2O5 comes from the thermodynamic stability of the products, but not directly from acidic catalysis.
期刊介绍:
Molecular Catalysis publishes full papers that are original, rigorous, and scholarly contributions examining the molecular and atomic aspects of catalytic activation and reaction mechanisms. The fields covered are:
Heterogeneous catalysis including immobilized molecular catalysts
Homogeneous catalysis including organocatalysis, organometallic catalysis and biocatalysis
Photo- and electrochemistry
Theoretical aspects of catalysis analyzed by computational methods