基于敏感性分析的甲烷反应机理优化简化

Optimally-reduced kinetic models for GRI-Mech 3.0 combustion mechanism based on sensitivity analysis

通过对包含53种组分、325个可逆基元反应的甲烷燃烧反应机理(GRI-Mech 3.0)的简化结果与原机理动力学计算结果的比较,证明最优简化法取得了良好的效果.同时,结合敏感性分析法深入揭示了甲烷燃烧过程中甲烷和氮氧化的化学过程.

A new optimization-based approach to kinetic model reduction is presented. The reaction-elimination problem was formulated as a linear integer program was the smallest possible reduced model consistent with the user-set tolerances. The method is applied to GRI-Mech 3.0 reaction mechanism consisting of 325 reactions and 53 species to generate optimally-reduced models for isobaric, adiabatic homogeneous methane combustion. The computational accuracy of the reduced models is compared to that of the full mechanism. The chemical process of methane combustion was revealed by sensitivity analysis.