[1]邢佳佳,邱榕,李山岭,等.针对C3H8/空气扩散火焰的PCA简化机理构筑[J].中国安全生产科学技术,2011,7(9):18-23.
XING Jia-jia,QIU Rong,Li Shan-lin,et al.Construction on reduced mechanism for diffusion flame of propane and air based on PCA method[J].JOURNAL OF SAFETY SCIENCE AND TECHNOLOGY,2011,7(9):18-23.
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针对C3H8/空气扩散火焰的PCA简化机理构筑()
XING Jia-jia,QIU Rong,Li Shan-lin,et al.Construction on reduced mechanism for diffusion flame of propane and air based on PCA method[J].JOURNAL OF SAFETY SCIENCE AND TECHNOLOGY,2011,7(9):18-23.
《中国安全生产科学技术》[ISSN:1673-193X/CN:11-5335/TB]
- 卷:
- 7
- 期数:
- 2011年9期
- 页码:
- 18-23
- 栏目:
- 学术论著
- 出版日期:
- 2011-09-30
文章信息/Info
- Title:
- Construction on reduced mechanism for diffusion flame of propane and air based on PCA method
- 文章编号:
- 1673-193X(2011)-09-0018-06
- 分类号:
- O643
- DOI:
- -
- 文献标志码:
- A
- 摘要:
- C3H8是液化石油气(LPG)的主要成分,其火焰结构的数值预测对于消防等相关行业具有重要意义。单步或总包反应过于简单,不能描述碳氢燃料的氧化机制,而耦合燃料详细机理的燃烧模拟计算量大,且描述反应的数学系统具有极强的"刚性",限制了反应机理的实际应用,而去除冗余反应和组分的简化机理具有描述燃烧的全面性优点,且降低了数学系统的"刚性",因此耦合简化机理的火焰结构数值预测具有优势。本文采用基于矩阵分析的主成分(PCA)分析技术,分析研究了wang等发展的469步C3H8详细反应动力学机理,获得了组分的重要性排序,基于此分别构筑了320步和214步两个简化机理,针对典型扩散火焰的计算,表明建立的两个简化机理具有较高的模拟可靠性,同时也提供了一种框架简化机理的构筑方法。
- Abstract:
- C3H8 is one of the major species of Liquefied Petroleum Gas (LPG). It’s important to the industrial sector such as fire department that the numerical prediction of the flame structure for C3H8. One step or the global reaction is so simple that it can’t describe the oxidation?mechanism of hydrocarbon fuels. But coupling simulation of the?detailed mechanism?for?combustion is very complex. And the description of?the mathematical?system has?a very strong?“stiffness”. It limits?the practical application of?the reaction mechanism. The reduced mechanism with no redundant reactions and species has advantages of depicting the combustion comprehensiveness. Furthermore, it lowers the “stiffness” of the mathematical system. The numerical prediction coupling with reduced mechanism has many advantages. The method of principal component analysis based on the Jacobian matrix was conducted to the?469-step?detailed mechanism of C3H8 which was developed by Wang?and others. Two reduced mechanisms consisting of 320 and 214 reactions were conducted through sorting the important species. The numerical calculations for typical diffusion flame show that the two reduced mechanisms have higher reliability of the simulation. Simultaneously, the paper developed a constructing method of skeletal reduced mechanism.
参考文献/References:
[1]蒋勇，邱榕，董刚，周为，基于一维全尺度湍流模型的氢气射流扩散火焰结构数值模拟，燃烧科学与技术，2006，12(5):401-407[2]邢佳佳，一种多组分火焰面模型及其在火灾烟气危害性评价中的应用，中国科学技术大学硕士学位论文，2009[3]蒋勇，邱榕，复杂化学机理简化的关联水平法，化学学报，2010，68(5):403-412[4]Bykov V., Mass U., Extension of the ILDM method to the domain of slow chemistry, 31st Symposium(International) on Combustion, Pittsburgh: The Combustion Institute, 2007:465-472[5]蒋勇，邱榕，正庚烷复杂化学框架与全局简化机理构筑，高等学校化学学报，2010，31(2):312-319[6]Nagy T., Turányi T., Reduction of very large reaction mechanisms using methods based on simulation error minimization. Combustion and Flame. 2009, 156(2):417-428[7]Prager J., Najm H. N., Valorani M., Goussis D. A., Skeletal mechanism generation with CSP and validation for premixed n-heptane flames. In: 32nd symposium (international) on combustion, Pittsburgh: The Combustion institute, 2009:509-517[8]Ren Z.-Y., Pope S. B., Species reconstruction using pre-image curves. In: 30th symposium (international) on combustion, Pittsburgh: The Combustion institute, 2005:1293-1300[9]Lu T.-F., Law C. K., A criterion based on computational singular perturbation for the identification of quasi steady state species: A reduced mechanism for methane oxidation with NO chemistry. Combustion and Flame. 2008, 154(4):761-774[10]Bykov V., Mass U., Problem adapted reduced models based on reaction-diffusion manifolds (REDIMS). In: 32nd symposium (international) on combustion, Pittsburgh: The Combustion institute, 2009:561-568[11]Brad R. B., Tomlin A. S., Fairweather, M.; Griffiths, J. F. The application of chemical reduction methods to a combustion system exhibiting complex dynamics. In: 31st symposium (international) on combustion, Pittsburgh: The Combustion institute, 2007:455-463[12]Williams F. A., Combustion theory——the fundamental theory of chemically reacting flow systems. 2nd ed. Reading. MA: The Benjaming/Cummings Publishing Company. Inc., 1985[13]王彬彬，蒋勇，邱榕，CSP分析方法在简化燃烧化学反应系统中的应用，物理化学学报，2008，24(12):2221-2228[14]Mass U., Pope S. B., Simplify Chemical Kinetic: Intrinsic Low-Dimensional Manifolds in Composition Space. Combustion and Flame . 1992,868 (2):239-264[15]Lu T.-F., Law C. K., A directed relation graph method for mechanism reduction. In: 30th symposium (international) on combustion, Pittsburgh: The Combustion institute, 2005:1333-1341[16] Turanyi T., Berces T., Vajda S., Reaction rate analysis of complex kinetic systems. International Journal of Chemical Kinetics. 1989, 21(2):83-99 [17]Vajda S., Valko P., Turányi T., Mechanism reduction with principle component analysis. International Journal of Chemical Kinetics. 1985, 12:17–55[18]邢佳佳，邱榕，蒋勇，基于连通法的甲烷简化机理构筑研究，中国安全生产科学与技术，2(3):13-18[19]Davis S. G., Law C. K., Wang H., Propene Pyrolysis and Oxidation Kinetics in a Flow Reactor and Laminar Flames, Combustion and Flame, 1999, 119:375-399[20]Kee R. J., Rupley F. M., Miller J. A., Chemkin Ⅱ: A Fortran Chemical Kinetics Package for the Analysis of Gas-Phase Chemical Kinetics. Sandia National Laboratories Report SAND89-8009，1989[21] Lutz A. E., Kee R. J., Grcar J. F., Rupley F. M., OPPDIF: A Fortran Program for Computing Opposed-flow Diffusion Flames, SANDIA REPORT, SAND96-8243, 1997
相似文献/References:
[1]邢佳佳,邱榕,蒋勇,等.基于连通法的甲烷简化机理构筑研究*[J].中国安全生产科学技术,2009,5(3):13.
XING Jia jia,QIU Rong,JIANG Yong,et al.Construction on reduced mechanism for methane based on connectivity method[J].JOURNAL OF SAFETY SCIENCE AND TECHNOLOGY,2009,5(9):13.
备注/Memo
- 备注/Memo:
-
收稿日期：2011-07-03
作者简介：邢佳佳，女，硕士研究生。
通讯作者：邱榕。
基金项目：国家自然科学基金项目（编号：50876097）
