The kinetic characteristics of the Ni/Al2O3 and Ni/MgO-Al2O3 catalysts were investigated in CO2 reforming of methane (CRM). The reaction orders (α and β) and the rate constant (k) were calculated using the non-linear regression analysis, in which the sum of the squared differences of calculated and experimental CO2 reforming of m...

A detailed model is presented for the analysis of temperature, species concentration, and current density profiles as well as the efficiency and power density of a planar solid oxide fuel cell at direct internal reforming condition. The model describes the interactions of mass transport, heat transport, heterogeneous chemistry, and electrochemistry. The heterogeneous chemistry model for the cat...

Steam reforming of ethanol in the membrane reactor using the Pd77Ag23 membrane was evaluated in Ni/CeO2 and Co/CeO2 at atmospheric pressure. At 673 K, the H2 yield in the Pd77Ag23 membrane reactor over Co/CeO2 was found to be higher than that over Ni/CeO2, although the H2 yield over Ni/CeO2 exceeded that over Co/CeO2 at 773 K. This difference was owing to their reaction mechanism. At 773 K, the...

We are interested in catalysts consisting either of substitutionally doped oxides (e.g. RuxCe1-xO2) or of submonolayers of an oxide supported on another oxide (e.g. VOx supported on ceria). Calculations and experiments show that in most cases these systems are more active catalysts than the original oxide (i.e. ceria). We use theory to try to find general patterns governing the activation by do...

The Zero Emission Coal Alliance (ZECA) is developing an integrated zero emission process that will generate clean energy carriers (electricity or hydrogen) from coal. The process exothermically gasifies coal using hydrogen to produce a methane rich intermediate state. The methane is subsequently reformed using water and a CaO based sorbent. The sorbent supplies the energy needed to drive the re...

The very large reserves of methane, which often are found in remote regions, could serve as a feedstock for the production of chemicals and as a source of energy well into the 21st century. Although methane currently is being used in such important applications as the heating of homes and the generation of hydrogen for ammonia synthesis, its potential for the production of ethylene or liquid hy...

Comparisons of DFT and experiments on methane-steam reforming assess the predictive quality 12 state-of-the-art GGA, DFT-D vdW functionals.