Mechanism Reduction to Skeletal Form and Species Lumping

摘要: The numerical simulation of practical combustion devices such as engines and gas turbines requires the coupling descriptions complex physical flows with chemistry in order to accurately predict phenomena ignition flame propagation. For three-dimensional simulations, this becomes computationally challenging where interactions between large numbers chemical species are involved. Historically therefore, simulations used highly simplified chemistry, which limited applicability models. More recently, however, a range techniques for reducing size schemes have been developed, resulting reduced can be shown accuracies almost good much larger comprehensive mechanisms. Such will described chapter. Skeletal reduction first introduced aim identify redundant reactions within mechanism over wide ranges conditions. Approaches based on sensitivity analysis, optimization direct relation graphs introduced. Lumping then discussed exploit similarities structure reactivity describing lumped components, represent sum several isomers particular hydrocarbon example. Both approaches lead substantial mechanisms (numbers reactions) without having significant impact model accuracy. They combined chemistry-guided approach, is generate small enough behaviour homogeneous charge compression (HCCI) engine.