Nitrogen, from heterogeneous oxidation

Reasons for interest in the catalyzed reactions of NO, CO, and COz are many and varied. Nitric oxide, for example, is an odd electron, hetero-nuclear diatomic which is the parent member of the environmentally hazardous oxides of nitrogen. Its decomposition and reduction reactions, which occur only in the presence of catalysts, provide a stimulus to research in nitrosyl chemistry. From a different perspective, the catalyzed reactions of CO and COz have attracted attention because of the need to develop hydrocarbon sources that are alternatives to petroleum. Carbon dioxide is one of the most abundant sources of carbon available, but its utilization will require a cheap and plentiful source of hydrogen for reduction, and the development of catalysts that will permit reduction to take place under mild conditions. The use of carbon monoxide in the development of alternative hydrocarbon sources is better defined at this time, being directly linked to coal utilization. The conversion of coal to substitute natural gas (SNG), hydrocarbons, and organic chemicals is based on the hydrogen reduction of CO via methanation and the Fischer-Tropsch synthesis. Notable successes using heterogeneous catalysts have been achieved in this area, but most mechanistic proposals remain unproven, and overall efficiencies can still be improved. 

Various methods for lowering the concentrations of NO in combustion products have been proposed lowering the temperature,13 which decreases NO output from both sources introduction of ammonia additives,1, 15 which reacts readily with NO and use of a plasma jet of nitrogen atoms.16 In coal combustion the nitrogen oxide is removed in a heterogeneous reaction on the surface of the coal particles.17... 

Another important application of heterogeneous catalysts is in automobile catalytic converters. Despite much work on engine design and fuel composition, automotive exhaust emissions contain air pollutants such as unburned hydrocarbons (CxHy), carbon monoxide, and nitric oxide. Carbon monoxide results from incomplete combustion of hydrocarbon fuels, and nitric oxide is produced when atmospheric nitrogen and oxygen combine at the high temperatures present in an... 

The choice of an appropriate model is heavily dependent on the intended application. In particular, the science of the model must match the pollutant(s) of concern. If the pollutant of concern is fine PM, the model chemistry must be able to handle reactions of nitrogen oxides (NOx), sulphur dioxide (SO2), volatile organic compounds (VOC), ammonia, etc. Reactions in both the gas and aqueous phases must be included, and preferably also heterogeneous reactions taking place on the surfaces of particles. Apart from correct treatment of transport and diffusion, the formation and growth of particles must be included, and the model must be able to track the evolution of particle mass as a function of size. The ability to treat deposition of pollutants to the surface of the earth by both wet and dry processes is also required. 

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