关键词:

化学动力学模型, 瓦斯爆炸, 敏感性分析, 数值模拟, 致灾性气体

Abstract:

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.

Key words:

化学动力学模型, 瓦斯爆炸, 敏感性分析, 数值模拟, 致灾性气体