燃烧机理构建的极小化反应网络方法:C_(2)燃料燃烧  

Combustion Mechanism Development Based on Minimized Reaction Network Method:C2 Fuel

作　　者：申屠江涛 李宜蔚 陆彦戎 李娟琴[1,2] 毛业兵 李象远 SHENTU Jiangtao;LI Yiwei;LU Yanrong;LI juanqin;MAO Yebing;LI Xiangyuan(College of Chemical Engineering,2.Engineering Research Center of Combustion and Cooling for Aerospace Power,Ministry of Education,3.School of Mechanical Engineering,Sichuan University,Chengdu 610065,China)

机构地区：[1]四川大学化学工程学院 [2]空天动力燃烧与冷却教育部工程研究中心 [3]机械工程学院,成都610065

出　　处：《高等学校化学学报》2024年第1期94-106,共13页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金(批准号:91741201)资助.

摘　　要：针对目前C_(2)燃料反应机理中存在的诸多问题,本文采用极小化反应网络方法,在特定化学分辨率条件下构建了乙烯、乙烷和乙醇等典型C_(2)燃料的燃烧反应机理.构建的C_(2)单组分机理具有简洁的反应网络,采用可逆反应形式,并对反应方向在形式上进行了统一.在动力学参数方面,采用经典Arrhenius方程(A,Ea)双参数形式,在保证物理意义的同时有利于参数优化.C_(2)机理构建过程中避免了机理简化步骤,能够大幅减少物种数和反应数.动力学模拟结果表明,构建的C_(2)燃烧反应机理在保持较小尺寸的同时有较高的可靠性,并为机理的实际工程应用降低计算成本带来便利.The increasing number of species and reactions in the combustion mechanisms has caused inconvenience to the engineering application of turbulent combustion simulation.The minimized reaction network method was adopted to develop combustion mechanisms for typical C_(2)fuels such as ethylene,ethane and ethanol under specific chemical resolution.Each C_(2)single mechanism features a compact reaction network with reversible reaction.Moreover,the direction of all reactions was unified in form.For kinetic parameters,the form of classical Arrhenius equation with two parameters(A,Ea)was adopted.This choice ensures physical significance while facilitating parameter optimization.The mechanism reduction process was avoided in the development of the C_(2)mechanisms,while the number of species and reactions were significantly decreased.The simulation results indicate that the C_(2)combustion mechanisms developed in this work exhibit high reliability while maintaining small scales,which may bring convenience to the practical engineering application of the mechanisms by reducing computational costs.

关 键 词：燃烧机理 极小化反应网络 化学分辨率 可逆反应 C2燃料 

分 类 号：O643.12[理学—物理化学]