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本文提出了一个SiCl_4/H_2/O_2反应动力学模型,并采用H_2/N_2/SiCl_4-N_2/O_2层流对冲扩散火焰实验验证提出的详细机理的准确性,结果表明提出的详细机理获得的结果与测量结果较吻合。该详细机理被应用于熔石英玻璃合成仿真,与四步总包机理相比该详细机理获得了更低且更准确的温度及二氧化硅质量分数。为了在仿真中加快化学计算,本文研究了自适应建表与动态自适应化学的组合化学加速算法TDAC,得出采用TDAC算法能够获得加速因子为2.0的加速效果,且除了SiO_2含量预测有小的偏差外,温度和OH含量预测均较准确。TDAC引起的误差可以通过自适应建表的容差值及DAC的简化阈值进行有效控制。另外,TDAC中初始搜索组分选择对机理简化结果有重要影响,最终产物SiO_2是影响简化结果的关键组分之一,应该被包含在初始搜索组分中。
In this paper, a kinetic model of SiCl_4 / H_2 / O_2 reaction was proposed, and the accuracy of the detailed mechanism proposed by H_2 / N_2 / SiCl_4-N_2 / O_2 laminar hedge diffusion flame experiment was verified. The results show that the proposed mechanism The measurement results are more consistent. This detailed mechanism was applied to the synthesis of fused silica glass. This detailed mechanism resulted in a lower and more accurate temperature and silica mass fraction than the four-step coalescence mechanism. In order to speed up the chemical calculation in the simulation, this paper studies the combined chemical acceleration algorithm TDAC with adaptive table-building and dynamic adaptive chemistry, and obtains the accelerating effect of accelerating factor 2.0 obtained by TDAC algorithm. Except that the SiO 2 content is predicted to be small Deviations, the temperature and OH content prediction are more accurate. The error caused by TDAC can be effectively controlled by adaptively setting the tolerance of the table and the simplified threshold of the DAC. In addition, the selection of initial search components in TDAC has an important influence on the mechanism simplification results. The final product SiO_2 is one of the key components affecting the simplified results and should be included in the initial search components.