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...

Na promoted Pt/TiO2 catalysts have been studied under high severity, near equilibrium, conditions for use as a single stage WGS catalyst. Addition of 3 wt% Na to a 1 wt% Pt/TiO2 catalyst has been found to improve water gas shift activity significantly compared to Pt/TiO2, Pt/CeO2, and Pt–Re/TiO2 catalysts. This catalyst is stable when the reaction temperature is higher than 250 C. Deactivation ...

The chemical equilibria concerning formic acid are computationally investigated in water over a wide range of thermodynamic conditions. The solvation free energies for relevant C1 compounds are evaluated in the method of energy representation, and are used to assess the solvent effect on the formic acid reactions. In the two competitive decomposition processes of formic acid, the solvent strong...

Nano-sized iron-based catalyst was prepared by the micro-emulsion method. The composition of the final nano-sized iron catalyst, in term of the atomic ratio contains: 100Fe/4Cu/2Ce. Experimental techniques of XRD, BET, TEM and TPR were used to study the phase, structure and morphology of the catalyst. Fischer-Tropsch Synthesis (FTS) reaction test was performed in a fixed bed reactor at pressure...

In this project, we have integrated state-of-the-art Density Functional Theory (DFT) models of heterogeneous catalytic processes with high-throughput screening of bimetallic catalytic candidates for important industrial problems. We have studied a new class of alloys characterized by a surface composition different from the bulk composition, and investigated their stability and activity for the...