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为了获取瓦斯爆炸过程中反应动力学参数,通过修改化学动力学计算软件CHEMKINIII中的SENKIN程序包,采用甲烷燃烧的化学动力学详细反应机理(包括16种组分、41个反应),建立了定容弹中瓦斯爆炸过程的计算模型.利用该模型对瓦斯爆炸过程中温度、压力及反应物浓度的变化趋势进行了模拟分析,同时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.结果表明:瓦斯爆炸后温度、压力将分别达到2800K,0.24MPa左右;促进瓦斯爆炸的关键反应步为CH3+O2=CH3O+O,CH4+HO2=CH3+H2O2;促进CO与CO2生成的关键反应步为CH3+O2=CH3O+O,CH4+O2=CH3+HO2,CH4+HO2=CH3+H2O2,CH3+HO2=CH3O+OH,H+O2=OH+O.
In order to get the reaction kinetics parameters during the gas explosion process, the chemical reaction kinetics of methane combustion (including 16 components and 41 reactions) was modified by modifying the SENKIN package in CHEMKINIII. This model is used to simulate the trend of gas temperature, pressure and reactant concentration during gas explosion, and through the sensitivity analysis of detailed reaction mechanism of gas explosion, the influence of gas explosion is found out Gas explosion and some of the key reaction steps after the explosion.The results show that the temperature and pressure will reach 2800K and 0.24MPa respectively after gas explosion.The key reaction steps to promote gas explosion are CH3 + O2 = CH3O + O, CH4 + HO2 = CH3 + H2O2; The key reaction steps to promote the formation of CO and CO2 are CH3 + O2 = CH3O + O, CH4 + O2 = CH3 + HO2, CH4 + HO2 = CH3 + H2O2, CH3 + HO2 = CH3O + H + O2 = OH + O.