For the successful commercialization of PEM fuel cells for portable power and transportation applications, there is a strong need to lower the amount of water-gas shift catalyst used within fuel processor for H2 production/purification. While most recent studies have improved the current understanding of water-gas shift catalysis, especially regarding structural-property relationships and catal...

In this paper geometry optimization of two ionic complexes such as Cr042-Gly+1, and Mo042- Gly+I have been carried out at the HF and B3LYP levels oftheory with 6-31G* basis set in the gas phase. Moreover, chemical shift andnatural bond of orbital (NBO) of these compounds have been obtainedusing NMR and NBO methods. Finally, the obtained theoretical results werecompared with each other.

Novel ruthenium-based supported ionic liquid phase (SILP) catalysts for the water-gas shift (WGS) reaction are reported which, compared to classical low temperature shift systems, operate at much lower temperatures and even at ambient pressure.

Nowadays NMR spectroscopy becomes a powerful tool in chemistry because of the NMR chemical shifts. Hartree–Fock theory and the Gauge-including atomic orbital (GIAO) methods are used in the calculation of 29Si NMR chemical shifts of various silicate species in the silicate solution as initial components for zeolite synthesis both in gas and solution phase. Calculations have been performed at geo...

In design of anaerobic bioreactor, rate equation is commonly used. Mathematical model was developed at steady state condition, to project concentration of gaseous substrate and product in biological oxidation of carbon monoxide with water to produce hydrogen and carbon dioxide. The concept of bioconversion was based on transport of CO from gas phase to liquid phase, as the CO consumption was in...

Ni–CeO2–ZrO2 Catalysts for Water Gas Shift Reaction: Effect of CeO2

nowadays nmr spectroscopy becomes a powerful tool in chemistry because of the nmr chemical shifts. hartree–fock theory and the gauge-including atomic orbital (giao) methods are used in the calculation of 29si nmr chemical shifts of various silicate species in the silicate solution as initial components for zeolite synthesis both in gas and solution phase. calculations have been performed at geo...

Introduction The fuel processor in which hydrocarbon fuels can be converted into hydrogen has recently attracted much attention as a result of the advancement in the fuel cell technology. In a fuel processor, the water-gas shift (WGS) reaction plays a crucial role in the transformation of CO, a well-known poisonous gas to electrode of fuel cell, into hydrogen through reaction with steam. In WGS...