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复杂反应流自适应化学理论计算的研究现状 被引量:1

The Present Status of Research on an Adaptive Chemistry (AdapChem) Concept for Calculating Complex Reaction Flows
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摘要 麻省理工学院化工系的Green教授提出了自适应化学理论AdapChem的概念 ,它采用相容分割法将守恒方程划分为化学方程和流动方程两个有机的部分。根据反应条件的不同 ,这种方法分别使用多个简化化学反应模型 ,而非复杂的详细基元反应模型进行区域内的数值模拟 ,为我们提供了在保证化学精度条件下 ,避免效率浪费的一条有效途径。然而 ,为了完善AdapChem ,引入以往没有考虑过的辐射模型是有必要的 ,我们使用的是离散坐标法。针对CH4/空气火焰的模拟结果显示 :引入辐射模型后 ,计算结果的图形没有明显的变化 ,而且温度又合理的降低。 Professor Green of the Department of Chemical Engineering under the Massachusetts Institute of Technology has proposed an adaptive chemistry (AdapChem) concept, under which by the use of a consistent splitting method conservation equations can be divided into two organic parts, namely, a chemical equation and a flow equation. Depending on different reaction conditions, the above method makes it possible to perform in-domain numerical simulations of non-complex detailed and elementary reaction models by using a multitude of simplified chemical reaction models. As a result, an effective approach is provided for avoiding the loss of efficiency under the condition of retaining chemical precision. However, to further improve AdapChem, it is necessary to introduce a radiation model, which has not been taken into account previously. In this connection, the authors have employed a discrete coordinate method. The simulation results of a CH_4/air flame have shown that with the radiation model being incorporated the graphical expression of calculation results did not undergo significant changes and there was also a rational reduction in temperatures.
出处 《热能动力工程》 CAS CSCD 北大核心 2004年第4期331-335,共5页 Journal of Engineering for Thermal Energy and Power
基金 国家自然科学基金项目资助 ( 5 0 2 760 18 5 0 3 2 5 62 1)
关键词 自适应化学 相容分割法 简化模型 离散坐标法 adaptive chemistry, consistent splitting method, simplified model, discrete coordinate method.
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参考文献14

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共引文献6

同被引文献20

  • 1黄来,陆继东,狄东仁,胡芝娟,刘瑞芝.分解炉中气体成分分布的数值模拟[J].化工学报,2004,55(7):1161-1167. 被引量:12
  • 2Green W H,Schwer D A.Computational Fluid and Solid Mechanics.USA:Elsevier Science Ltd,2001:1209-1212.
  • 3Susnow R G,Dean A M,Green W H.Rate-based construction of complex kinetic models.Journal of Physical Chemistry A,1997,101:3731-3740.
  • 4Smooke M D,Mcenally C S,Pfefferle L D.Computational and experimental study of soot formation in a coflow,laminar diffusion flame.Combustion and Flame,1999,117:117-139.
  • 5Schwer D A,Lu P S,Green W H.An adaptive chemistry approach to modeling complex kinetics in reacting flows.Combustion and Flame,2003,133:451-465.
  • 6Najm H N,Paul P H,Mueller C J.On the adequacy of certain experimental observable as measurements of flame burning rate.Combustion and Flame,1998,113:312-332.
  • 7Pope S B.Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation.Combust.Theory and Modeling,1997,1:41-63.
  • 8Tonse S R.An economical strategy for chemical kinetics.Israeli Journal of Chemistry,1999,39(1):97-106.
  • 9Hottel H C,Sarofim A F.Radiative Transfer.New York:McGraw-Hill,1967.
  • 10Hottel H C,Cohen E S.Radiant heat exchange in a gas-filled enclosure:Allowance for nonuniformity of gas temperature.AIChE Journal,1958,4(1):3-14.

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