基于Senkin模型,应用自编化学反应机理简化程序,结合Kinalc和Mechmod开源程序,发展了详细化学反应机理的简化与验证方法.以电站锅炉燃烧的计算流体力学(CFD)数值模拟为应用背景,建立了考虑C/H/O/N/S/C1/K/Na元素的详细化学反应机理(115组分,1342基元反应),并运用此方法得到简化反应机理(28组分,20反应).验证结果表明,该简化机理在锅炉运行的主要参数变化范围内(温度T:1100~1500℃,过量空气系数λ=0.8~1.2)具有较好的准确性和较高的计算效率,可应用于锅炉燃烧的CFD计算.
Based on the Senkin model, a method for reduction and verification of detailed reaction mechanism was developed, combining a self-written program with two open source programs Kinalc and Mechmod. On the applica- tion background of computational fluid dynamics (CFD) simulation of combustion in power plant boiler, a detailed mechanism (115 species, 1 342 reactions)containing C/H/O/N/S/Cl/K/Na elements was established, and a reduced mechanism (28 species, 20 reactions)was obtained using this method. The verification results show that the reduced mechanism can be applied to CFD simulation of combustion in boiler with an acceptable accuracy and higher computational efficiency within the main variation range of parameters (temperature T = 1 100-1 500 ℃, equivalence ratio λ= 0.8-1.2) during boiler operation.