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基于敏感性分析的甲烷反应机理优化简化
引用本文:乔瑜,徐明厚,姚洪.基于敏感性分析的甲烷反应机理优化简化[J].华中科技大学学报(自然科学版),2007,35(5):85-87.
作者姓名:乔瑜  徐明厚  姚洪
作者单位:华中科技大学,煤燃烧国家重点实验室,湖北,武汉,430074
摘    要:通过对包含53种组分、325个可逆基元反应的甲烷燃烧反应机理(GRI-Mech 3.0)的简化结果与原机理动力学计算结果的比较,证明最优简化法取得了良好的效果.同时,结合敏感性分析法深入揭示了甲烷燃烧过程中甲烷和氮氧化的化学过程.

关 键 词:最优简化法  机理简化  敏感性分析  甲烷反应机理  敏感性分析法  甲烷燃烧  反应机理  优化  最优简化法  models  kinetic  sensitivity  analysis  based  mechanism  化学过程  氮氧化  燃烧过程  结合  效果  比较  动力学计算  结果  基元反应  组分
文章编号:1671-4512(2007)05-0085-03
修稿时间:03 9 2006 12:00AM

Optimally-reduced kinetic models for GRI-Mech 3.0 combustion mechanism based on sensitivity analysis
Qiao Yu,Xu Minghou,Yao Hong.Optimally-reduced kinetic models for GRI-Mech 3.0 combustion mechanism based on sensitivity analysis[J].JOURNAL OF HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY.NATURE SCIENCE,2007,35(5):85-87.
Authors:Qiao Yu  Xu Minghou  Yao Hong
Institution:State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074, China
Abstract:A new optimization-based approach to kinetic model reduction is presented.The reaction-elimination problem was formulated as a linear integer program was the smallest possible reduced model consistent with the user-set tolerances.The method is applied to GRI-Mech 3.0 reaction mechanism consisting of 325 reactions and 53 species to generate optimally-reduced models for isobaric,adiabatic homogeneous methane combustion.The computational accuracy of the reduced models is compared to that of the full mechanism.The chemical process of methane combustion was revealed by sensitivity analysis.
Keywords:optimally-reduced models  reaction elimination  sensitivity analysis  GRI-Mech 3  0
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