Predicting catalysis: Understanding ammonia synthesis from first-principles calculations

Article Abstract:

First-principles calculations were used to predict outcome of catalysis in atomic-scale industrial ammonia production over ruthenium catalysts. It was shown that overall rates of ammonia production can be determined by applying various levels of theory to a range of relevant elementary reaction steps such as [N.sub.2] dissociation, [H.sub.2] dissociation and hydrogenation of the intermediate reactants.

Primary nonferrous metals, not elsewhere classified, Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Ruthenium, Analysis, Chemical synthesis, Hydrogenation

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Fabrication and characterization of polycrystalline W[O.sub.3] nanofibers and their application for ammonia sensing

Article Abstract:

The fabrication and characterization of tungsten oxide nanofibers is described using the electrospinning technique and sol-gel chemistry. The results have shown that the as-prepared tungsten oxide ceramic nanofibers have a quick response to ammonia with various concentrations, indicating potential applications of the electrospun tungsten oxide nanofibers as a sensor material for gas detection.

Surgical Appliance and Supplies Manufacturing, All Other Basic Inorganic Chemical Manufacturing, Surgical appliances and supplies, Industrial inorganic chemicals, not elsewhere classified, Tungsten Compounds, Toxic Gas Monitors, Usage, Gas detectors, Gas-detectors

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