NO reduction by CO was investigated over a AuPd(1 0 0) model catalyst at near atmospheric pressures. The alloy catalyst exhibits higher CO2 formation rates below 550 K than does pure Pd, although the binding energy of NO on the alloy surface is substantially less, i.e., its dissociation tendency is much less, compared with pure Pd. This behavior is rationalized by the fact that the low CO/NO-bi...

Microkinetics simulations are presented on the intrinsic activity and selectivity of the Fischer-Tropsch reaction with respect to the formation of long chain oxygenated hydrocarbons. Two different chain growth mechanisms are compared: the carbide chain growth mechanism and the CO insertion chain growth mechanism. The microkinetics simulations are based on quantum-chemical data on reaction rate ...

With an increase in energy consumption globally, Fischer-Tropsch (FT) synthesis is a good alternative for producing fuels and chemicals from coal, natural gas or biomass. Among them, coal to liquids has been put into production countries that have large reserves. In this process, Fe-based catalysts are commonly used due their earth abundance, comparatively wide operation range ready availabilit...

A series of x(Co, Mn)/TiO2 catalysts (x=2–12wt.%) containing 25%Co and 75%Mn were prepared by the co-impregnation method. All prepared catalysts have been tested in Fischer-Tropsch synthesis for production of C2-C4 olefins. It was found that the catalyst containing 8wt.%(Co,Mn)/TiO2 is an optimal catalyst for production of C...

The addition of Ru to Mn and Zr-modified Co/SiO2 catalysts, while applying different preparation orders and loading amounts, was investigated as a means of enhancing the Fischer-Tropsch synthesis reaction. The coimpregnation of Zr/SiO2 with Co, Mn and Ru gave the most attractive catalytic properties. This can be attributed to the higher dispersion of Co metal resulting from the coimpregnation o...

Title of Dissertation/Thesis: Architecturally Controlled Bimetallic Nanoparticles for Heterogeneous Catalysis Shenghu Zhou, Doctor of Philosophy, 2007 Thesis Directed By: Professor Bryan W. Eichhorn Department of Chemistry and Biochemistry This work develops synthetic methods for architecturally controlled AuPt and CuPt bimetallic nanomaterials. The AuPt heteroaggregate, AuPt alloy spherical na...

The Fischer-Tropsch synthesis is a catalytic process that can produce a fuel similar to fossil fuels by using primary sources such as agricultural waste and carbon sources that can convert into synthesis gas by superheated steam. All fuel derivatives can be supplied through the Fischer-Tropsch reaction. The synthesis produces a variety of hydrocarbons via parallel and sequential reactions. Howe...

In this concise review paper, we will address recent studies based on the generalized-gradient approximation (GGA) of the density functional theory (DFT) and on the periodic slab approach devoted to the understanding of the Fischer-Tropsch synthesis process on transition metal catalysts. As it will be seen, this computational combination arises as a very adequate strategy for the study of the r...

Optical infrared-visible sum-frequency generation (IR-VIS SFG) surface vibrational spectros-copy was employed for in situ detection of chemisorbed CO during CO adsorption and catalytic CO oxidation on a rhodium (111) catalyst in the substrate temperature range T s = 300– 800 K. CO adsorption studies performed over 12 orders of magnitude in CO pressure (p CO = 10-8 –1000 mbar) demonstrated the r...

The unique catalytic activity of vanadium nitrogenase suggests a new direction for the direct production of biofuels from CO with either synthetic catalysts or nitrogenase-containing bacteria. The reduction of CO by V nitrogenase to light hydrocarbons shows striking similarities to the established Fischer-Tropsch process; however, the enzyme does not use H(2) directly for this reaction. ADP=ade...