甲醇微小尺度燃烧反应动力学模型的简化和优化

Reduction and Optimization for Detailed Kinetic Model of Methanol in Small-scale Combustion

摘要:

采用基于误差传播的直接关系图法（directed relation graph with error propagation， DRGEP）、全物种敏感性分析法（full species sensitivity analysis， FSSA）和基于反应路径法的直接关系图法（directed relation graph with path flux analysis， DRGPFA）对甲醇燃烧详细机理进行了简化，利用敏感性分析法筛选出关键基元反应，通过指前因子扰动法进行粗扰动和细扰动分析，并对甲醇简化机理进行了优化和验证。结果表明，FSSA简化机理含有16种组分、65个基元反应，能较准确的预测点火延迟时间和层流火焰速度；V6–3–4优化机理的预测精度较详细机理更接近试验值。

Abstract:

The directed relation graph with error propagation （DRGEP）， full species sensitivity analysis （FSSA） and directed relation graph with path flux analysis （DRGPFA） were used to reduce the mechanism of methanol. Based on the reduced mechanism， the key primitive reactions were found by sensitivity analysis， then their pre-exponential factors were adjusted by coarse perturbation and refinement perturbation analysis which were on this basis of pre-factor perturbation method， to obtain the optimal optimization mechanism and verify it. The results show that the FSSA reduced mechanism has 16 species and 65 reactions， which can accurately predict ignition delay time and laminar flame velocity. The prediction accuracy of the V6-3-4 optimized mechanism is better than that of the FSSA reduced mechanism， and the predicted value is much closer to the experimental value than the detailed mechanism.