Large Scale Chemical Kinetic Models of Fossil Fuel Combustion: Adequate as Engineering Models—No More, No Less
2012
Schofield, Keith
Computers and integration codes now provide for mega-size modeling of chemical kinetics. Although complex and often speculative, this can be surprisingly successful in approximately reproducing experimental data for fossil fuel combustion. How such agreements can occur generally remains neither questioned nor discussed in spite of the now large number of differing fuels and blends that are being investigated. On the contrary, the conclusion invariably is that such models are indeed valid. In reality, this is impossible simply due to the complex nature of the differing chemistries involved for which kinetic information remains sparse. The present analysis and assessment discusses the reasons for their apparent success, the overlooked guidance that has always been available, and their ultimate limitations. A suggestion is that they be referred to as engineering chemical simulations and be tailored toward reduced schemes. They should not become regarded as a basis for specific chemical insights for which there can be no foundation now or in the foreseeable future.
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