中文摘要：

通过修改化学动力学计算软件CHEMKIN Ⅲ中的SENKIN程序包，建立了定容弹中瓦斯爆炸过程的计算模型，其化学反应采用了详细反应机理（包括53种组分、325个反应）。利用此模型对瓦斯爆炸过程中反应物浓度、活化中心浓度、爆炸后部分致灾性气体浓度的变化趋势进行了详细分析；通过对瓦斯爆炸详细反应机理的敏感性分析，找出了影响瓦斯爆炸以及爆炸后部分致灾性气体生成的关键反应步，同时，对水抑制瓦斯爆炸及爆炸后致灾性气体生成的机理进行了分析。结果表明，当混合气中不含水时，瓦斯爆炸后温度、压力将分别达到2700K、0.22MPa左右；当混合气中含10％水时，温度、压力将分别降低到2580K、0.21MPa；而当混合气中含15％水时，与混合气中不含水相比，温度、压力分别降低了180K、0.025MPa；同时，混合气中的水对瓦斯爆炸及爆炸后CO、CO2、NO2的生成起抑制作用。

英文摘要：

Through amending the SENKIN code of CHEMKIN Ⅲ chemical kinetics package, the computational model of gas explosion in a constant volume bomb was built, and the detailed reaction mechanisms （including 53 species, 325 reactions） were adopted. The trends of variation of the mole fractions of reactants, activation centers in the explosion process, and the mole fractions of catastrophic gases after explosion were analyzed by using this model. Furthermore, through the sensitivity analysis of the reaction mechanisms of gas explosion, the key reactions that affected gas explosion and formation of catastrophic gases were identified. At the same time, the inhibition mechanism of H2O on gas explosion and formation of catastrophic gases were analyzed. The results showed that the temperature and pressure were 2700 K and 0.22 MPa respectively after gas explosion when the mixed gas had no water. When the mole fraction of water in the mixed gas was 10%, the temperature and pressure were 2580 K and 0.21 MPa respectively. When the mole fraction of water in the mixed gas was 15%, the temperature and pressure decreased by 180 K and 0.025 MPa respectively against the case that the mixed gas had no water.Furthermore, the water in the mixed gas would inhibit gas explosion and the formations of CO, CO2 and NO2.