易燃混合气体爆炸完全基元反应模型数值模拟

采用完全基元反应模型和高精度ENO格式对易燃混合气体爆炸过程进行了数值研究，对H2/O2/Ar混合气体起爆和爆轰波传播过程的数值模拟结果表明，计算的爆轰波阵面参数和实验相当符合，对轰波反应区化学反应的研究表明，参与反应的不同组分具有不同类型的变化特征，这些特征为爆炸灾害的预防设计提供了线索。

NUMERICAL SIMULATION OF EXPLOSION OF COMBUSTIBLE GASEOUS MIXTURE WITH DETAILED CHEMICAL REACTION MODEL

The initiation process and the detonation wave of H 2/O 2/Ar mixture are numerically simulated with detailed chemical reaction model which includes nine species and 19 elementary reactions(Table 1). The one-dimensional governing equations are solved with high-order ENO scheme. The computations of reaction processes are carried out with chemical kinetics solver CHEMEQ, which is coupled by time-slipting method. In order to increase the calculating precision of the reactions, the temperatures of flows are also iterated after each time-step of reaction calculation. A computer code for such process is edited.The simulation shows that gaseous explosion is developed after initiated by a high pressure and high temperature gas pocket at the rigid end of a tube. The initiation process indicates there is an overdriven period before the wave reaches a constant propagation velocity(Fig.3). The calculated parameters of detonation wave, such as detonation wave velocity, C-J pressure and van Neumann spike pressure, are compared with the results obtained from Gordon-McBride code and experimental data and the agreement between them appears to be good, in general (Figs.1 and 2). However the calculated reaction zone length is much larger than that of steady-state results (Figs.3 and 4). The energy releasing process before and after C-J plane are calculated (Figs.5~7).Results show all species exist in reaction zone and all the species could be classified into three groups by their magnitude of concentration, which seems useful to explosion safety design.