基于敏感性分析的H2/O2反应机理最优简化

已有的反应流计算方法通常采用简单的化学反应机理。由于火焰中不同区域的化学特性变化较大，有时简单反应机理不能精确描述燃烧过程的化学特性；而计算包含详细反应机理的复杂反应流问题仍然是十分费时的。最优简化法可根据设定的化学精度要求实现详细反应机理的最优简化。通过对包含20个可逆基元反应的H2/O2燃烧机理的简化结果与原机理计算结果的比较，取得了良好的效果。同时，结合敏感性分析法深入揭示了氢、氧燃烧的化学过程。

Optimally-reduced Kinetic Models of H2/O2 Combustion Mechanism Based on Sensitivity Analysis

Existing algorithms usually use a single chemical kinetic model over the entire domain of a reacting flow simulation. However, it is well known that the chemistry varies significantly in different regions of a flame. For combustion and other reacting flows with very complex chemistry, computing all possible reactions and species everywhere in the computational domain(the full chemistry approach ) is very computationally demanding. A new optimization-based approach to kinetic model reduction is presented. The reaction-elimination problem is formulated as a linear integer program is the smallest possible reduced model consistent with the user-set tolerances. The method is applied to generate optimally-reduced models for isobaric, adiabatic homogeneous combustion. The computational accuracy of the reduced models is compared to that of the full mechanism. Sensitivity analysis is used to reveal the chemical process of hydrogen combustion. Results are shown for H2/O2 combustion mechanism consisting of 20 reactions.