基于充分搅拌反应器模型简化详细反应机理

基于充分搅拌反应器(perfectly stirred reactor)模型,改进了相关性分析方法和主成分分析方法的应用方式,对航空煤油(替代燃油)的详细反应机理进行了简化.该详细反应机理由航空煤油替代燃油(80%的正癸烷,20%的1,2,4-三甲基苯组成,以质量计)的反应机理和的NO_X反应机理综合得到,总共包含131种组分,1020个不可逆基元反应.简化工况选为:充分搅拌反应器进口温度800 K、压力101325 Pa、停留时间3 ms、体积为常数、忽略热损失;目标是使得简化机理在绝热的充分搅拌反应器中计算得到的温度和重要组分(CO,CO₂,NO)的摩尔分数与详细机理的计算结果在5%的误差范围内.结果表明,在简化工况宽广的当量比范围内(0.5～2.0)简化机理均能满足设定的目标. 

Reduction of detailed reaction mechanism using methods based on simulations of perfectly stirred reactor

A method based on simulations of perfectly stirred reactor(PSR) and improved application mode of connectivity method and principal component analysis of the rate sensitivity matrix was adopted to reduce the detailed reaction mechanism of aviation fuel(surrogate fuel).The detailed mechanism containing 1020 irreversible reactions of 131 species was assembled using the combustion mechanism of surrogate fuel(80% decane and 20% 1,2,4-trimethylbenzene by weight) and the NO_X formation mechanism.The aim was to accurately reproduce the temperature and concentrations of important species(CO,CO₂,and NO) with less than 5% error at the condition of inlet temperature 800K,pressure 101325Pa,residence time 3ms,without heat loss and constant reactor volume in an adiabatic PSR.The results showed that the reduced mechanism met the desired target over a wide range of equivalence ratio(0.5～2.0).