发展了基于误差传播的直接关系图形法(DRGEP)及主成分分析法(PCA)的简化复杂化学动力学机理的数值方法,通过对详细机理的二次简化,快速有效地去除其中冗余组分和反应。研究结果表明:DRGEP方法能够快速和高效地去除冗余反应和组分,而PCA方法主要是去除非重要反应,两者对于高温阶段的机理简化效果更好,在简化过程中,DRGEP和PCA算法阂值并非呈线性变化。由于每次简化均在误差可控前提下进行,研究从简化方法的角度入手,利用该机理自动简化方法对二甲醚的详细反应机理进行了简化,据此就激波管内二甲醚在高温高压氛围下的着火滞燃期进行预测分析及其计算结果试验验证,计算值与实测值吻合得较好,最大着火滞燃期相对误差控制在3%以内,表明该机理简化方法的有效性。
A numerical approach being able to simplify automatically complex chemical reaction kinemics mechanism based on Directed Relation Graph with Error Propagation (DRGEP) and Principal Component Analysis (PCA) methods was developed. It included a two-stage mechanism reduction procedure, the DRGEP method efficiently eliminated redundant components and reactions, and the PCA method mainly reduced unimportant reactions. Both methods exhibited better performance under high temperature condition. The approach was applied to simplify the detailed chemical reaction kinemics mechanism of DME ignition process and examine its ignition delay in the shock tube at high temperature and high pressure conditions. The predicted ignition delay data are demonstrated by the experimental results, the maximum error of auto- ignition delay is controlled within 3 % ,proving the two-stage mechanism reduction procedure to be valid.