大分子碳氢燃料预混射流火焰的化学反应器模拟

Chemical Reactor Simulation of Macromolecule Hydrocarbon Fuel Premixed Jet Flame

针对大分子碳氢燃料预混射流火焰进行模拟,建立一个基于化学反应器网络(CRN)的快速预测模型,对不同工况的大分子碳氢燃料预混射流火焰进行快速模拟.通过对3种(正庚烷、正癸烷、正十二烷)燃料在进口流量0.268~0.343 g/s,当量比0.8~1.2,混合气进口温度380~500 K下的射流火焰进行计算流体力学方法(CFD)求解,建立数据样本集合.通过样本进行数据分析获得射流火焰CRN分区拓扑结构.建立优化模型对化学反应器的特征参数进行优化.建立大分子碳氢燃料射流火焰进口参数与各个反应器出口参数的拟合关系式.最后运用拟合关系式对参考工况进行验证,结果表明预测最大相对误差为11.2%,平均相对误差为4.6%.

An efficient chemical reactor network(CRN)model was proposed based on the simulation results of premixed jet flame of macromolecule hydrocarbon fuel,for the purpose of simulating premixed flame under different conditions.The data sample set was established through computational fluid dynamics(CFD)simulation using three different fuels(n-heptane,n-decane,n-dodecane),under the mass flow rate ranging from 0.268 g/s to 0.343 g/s,the equivalence ratio ranging from 0.8 to 1.2,and the inlet temperature ranging from 380 K to 500 K.The CRN topological structure was obtained by analyzing the sample data.An optimization model was put forward to optimize the characteristic parameters of CRN.In addition,the fitting relationship between the inlet parameters of jet flame and the exit parameters of reactors was established.Finally,the fitting relationship was employed in reference conditions.Results show that the maximum value of relative error is 11.2%and its mean value is 4.6%.