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为获得可用于工程模拟的高精度乙烯简化机理,采用反应路径分析方法及近似轨迹优化算法(ATOA)对乙烯氧化机理进行了框架简化。简化结果表明,ATOA在给定的自点火误差条件下能获得更精简的框架机理。以包含70个物种、463个基元反应的乙烯氧化详细机理为基础,获得了包含32个物种、194个基元反应的框架机理。该机理与已报道的直接关系图法获得的框架机理对比验证表明,获得的框架机理更忠实于详细机理。该简化模型组分数量少、精度高。
In order to obtain a high-precision ethylene reduction mechanism that can be used in engineering simulation, the ethylene oxide mechanism was simplified by the route of reaction analysis and approximate trajectory optimization (ATOA). The simplified results show that ATOA achieves a more streamlined framework mechanism given the self-ignition error conditions. Based on the detailed mechanism of ethylene oxidation involving 70 species and 463 motifs, a framework mechanism involving 32 species and 194 motifs was obtained. A comparison of this mechanism with that of the reported direct relation diagram shows that the framework mechanism obtained is more faithful to the detailed mechanism. The simplified model has fewer components and high precision.