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Abstract: In this paper, we propose a chemical kinetic mechanism reduction method based on coupled species sensitivity analysis (CSSA). Coupled species graph of uncertain species was calculated using the interaction coefficient in the directed relation graph (DRG) approach and listed first, whereas species having large interaction coefficients were regarded as one unit and removed in the sensitivity analysis process. The detailed mechanisms for ethylene with 111 species and 784 reactions, and for n-heptane with 561 species and 2539 reactions, under both low and high temperatures were tested using the proposed reduction method. Skeletal mechanisms were generated, comprising a 33-species mechanism for combustion of ethylene and a 79-species mechanism for n-heptane. Ignition delay times, laminar flame speeds, perfectly stirred reactor (PSR) modeling as well as species and temperature profiles, and brute-force sensitivity coefficients obtained using the skeletal mechanisms were in good agreement with those of the detailed mechanism. The results demonstrate that the CSSA reduction approach can achieve compact and accurate skeletal chemical mechanisms and is suitable for combustion modeling.

This work proposed a chemical kinetic mechanism reduction method, CSSA. With the method, a 33-species mechanism for combustion of ethylene and a 76-species for n-heptane have been achieved. Ignition delay times, laminar flame speeds, species concentration, temperature profiles and brute-force sensitivity coefficients were tested with experiments or the detailed models. According to the results, the CSSA method is better than the DRGEP method. I believe that the new method as well as the achieved chemical models will be helpful for other researchers and engineers that working in the fields of chemical kinetics and combustion CFDs.

燃烧化学动力学机理的框架简化:组分耦合的灵敏性分析简化方法

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