正十二烷高温燃烧机理的构建及模拟

基于燃料燃烧反应机理的计算机自动生成方法,构建了正十二烷高温燃烧的详细反应机理; 分别采用物质产率分析和反应路径流量分析方法对详细机理进行简化,得到包含202个物种、738步反应的半详细机理和53个物种、228步反应的骨架机理; 对正十二烷点火延时、高温裂解以及层流火焰速度的模拟结果表明半详细机理和骨架机理具有很高的模拟精度,在工程计算流体力学仿真设计中有很好的应用前景.最后分析了正十二烷高温燃烧的反应路径,并对点火延时做了敏感度分析,考查了机理中的关键反应....

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Published in物理化学学报 Vol. 27; no. 12; pp. 2755 - 2761
Main Author 华晓筱 王静波 王全德 谈宁馨 李象远
Format Journal Article
LanguageChinese
Published 四川大学化学工程学院,成都,610065%四川大学化学学院,成都,610064 2011
Subjects
化学动力学模拟
机理简化
正十二烷
燃烧机理
正十二烷
燃烧机理
化学动力学模拟
机理简化
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ISSN1000-6818
DOI10.3866/PKU.WHXB20112755

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Summary:基于燃料燃烧反应机理的计算机自动生成方法,构建了正十二烷高温燃烧的详细反应机理; 分别采用物质产率分析和反应路径流量分析方法对详细机理进行简化,得到包含202个物种、738步反应的半详细机理和53个物种、228步反应的骨架机理; 对正十二烷点火延时、高温裂解以及层流火焰速度的模拟结果表明半详细机理和骨架机理具有很高的模拟精度,在工程计算流体力学仿真设计中有很好的应用前景.最后分析了正十二烷高温燃烧的反应路径,并对点火延时做了敏感度分析,考查了机理中的关键反应.
Bibliography:11-1892/06
HUA Xiao-Xiao,WANG Jing-Bo, WANG Quan-De, TAN Ning-Xin,LI Xiang-Yuan（1.College of Chemical Engineering, Sichuan University, Chengdu 610065, P. R. China; 2.College of Chemistry, Sichuan University, Chengdu 610064, P. R. China）
n-Dodecane; Combustion mechanism; Mechanism reduction Chemical kinetic simulation
Using automatic generation software for hydrocarbon oxidation mechanisms, a detailed mechanism for the high-temperature combustion of n-dodecane was developed. A semi-detailed mechanism consisting of 202 species and 738 reactions was obtained by rate-of-production analysis while a skeletal mechanism including 53 species and 228 reactions was obtained using path flux analysis. Both the semi-detailed mechanism and the skeletal mechanism were validated by comparing simulation results including the ignition delay time, high-temperature pyrolysis, and the laminar flame speed with experiments. The current mechanism generation method and the generated semi-detailed and skeletal mechanisms for n-dodecane sh
ISSN:1000-6818
DOI:10.3866/PKU.WHXB20112755