一个新的甲醇氧化简化化学动力学机理

A New Reduced Chemical Kinetic Mechanism for Methanol Oxidation

基于甲醇氧化反应的主要反应历程分析，构建了一个包含17种组分和40个基元反应的甲醇简化化学动力学机理．通过与激波管、流反应器、稳态反应器、层流火焰速度和火焰结构实验数据的比较表明，该机理在温度为823～2180K、压力为0．005—2．0MPa、当量比为0．2～2．6范围内能够准确描述甲醇氧化历程．用该机理计算所得的甲醇层流火焰速度和着火滞燃期与实验结果吻合得很好，对预混层流火焰模型中燃烧中问产物CH2O、CO体积分数的计算结果相当准确．与其他简化机理相比，该机理适用范围更广；与全面的详细机理相比，该机理更适合与CFD多维模型耦合．

Based on the analyses of main reaction path of methanol oxidation, a new reduced chemical kinetic mechanism for methanol oxidation including 17 species and 40 reactions was developed. Experimental data from shock-tube, flow-reactor, static-reactor, laminar-flame speed and flame structure show that, when temperature is 823--2 180 K, pressure is 0. 005--2.0 MPa, and equiralenee ratio is 0. 2--2. 6, this mechanism can predict methanol oxidation process quite well. The premix laminar flame speed and ignition delay time computed by this mechanism show agreement with the experimental data. Furthermore, the products in the premixed laminar flames such as CH2 O, CO, can also be predicted very well. Compared with other reduced mechanisms, this mechanism is valid within a wider flame range, and compared with comprehensive mechanisms, this mechanism is more suitable to couple with the multidimensional CFD model.