基于路径通量-敏感性分析方法的C_3H_8/DMMP/空气详细化学机理简化(英文)  

Detailed Mechanism Reduction for C_3H_8/DMMP/Air Flame Based on Path Flux Analysis-Sensitivity Analysis Method

作　　者：李山岭[1] 蒋勇[1] 邱榕[1] 

机构地区：[1]中国科学技术大学火灾科学国家重点实验室,合肥230026

出　　处：《燃烧科学与技术》2012年第5期473-479,共7页Journal of Combustion Science and Technology

基　　金：国家重点基础研究发展计划(973计划)资助项目(2012CB719704);国家自然科学基金资助项目(51176181);国家科技支撑计划资助项目(2011BAK07B01)

摘　　要：为系统分析复杂燃烧化学反应动力学机理,查明冗余组分及反应,提高计算效率,构建了详细化学机理分析及简化数值平台.综合运用路径通量分析、敏感性分析、反应速率分析方法,对一个可用于含磷物质对火焰抑制研究的化学机理进行了详细分析,得到了组分及反应的重要度信息,并对该机理进行了简化.构筑的简化机理包含46个组分、183步反应,与包含121个组分、682步反应的详细机理相比,简化机理对C3H8/DMMP/Air预混火焰的计算效率可提高9.47倍,且具有较高的计算精度.In order to analyze the complex chemical dynamics mechanism systematically, check out redundant species and reactions, and improve computational efficiency, a numerical platform for detailed mechanism analysis and simplification was established. Path flux analysis, sensitivity analysis and reaction rate analysis were comprehensively used to analyze and reduce a detailed mechanism, which can be applied to the study of the flame inhibited by phosphorus-containing compounds （PCCs）. Under this platform, the important information about species and reactions were obtained. Compared with the size of the detailed mechanism which consists of 121 species and 682 elementary reactions, that of the reduced mechanism is relatively small, with only 46 species and 183 reactions. In the case of C3Hs/DMMP/air premix flame, the reduced mechanism can improve the computational efficiency by 9.47 times and keep good calculation precision.

关 键 词：机理简化 路径通量分析 敏感性分析 含磷化合物 火焰抑制 

分 类 号：O643.12[理学—物理化学]