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燃烧机理构建的极小化反应网络方法:C2燃料燃烧

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针对目前C2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C2燃料的燃烧反应机理.构建的C2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.C2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C2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.
Combustion Mechanism Development Based on Minimized Reaction Network Method:C2 Fuel
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 C2 fuels such as ethylene,ethane and ethanol under specific chemical resolution.Each C2 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 C2 mechanisms,while the number of species and reactions were significantly decreased.The simulation results indicate that the C2 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.

Combustion mechanismMinimized reaction networkChemical resolutionReversible reactionC2 fuel

申屠江涛、李宜蔚、陆彦戎、李娟琴、毛业兵、李象远

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四川大学 化学工程学院,成都 610065

四川大学 空天动力燃烧与冷却教育部工程研究中心,成都 610065

四川大学 机械工程学院,成都 610065

燃烧机理 极小化反应网络 化学分辨率 可逆反应 C2燃料

国家自然科学基金

91741201

2024

高等学校化学学报
中华人民共和国教育部委托 吉林大学和南开大学

高等学校化学学报

CSTPCD北大核心
影响因子:1.067
ISSN:0251-0790
年,卷(期):2024.45(1)
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