氢氧催化反应的计算模型校正
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摘要
催化复合器消氢既包括氢氧反应过程,也包括多组分气体流动、传热和传质等物理过程。其各种数学方程之阃的关联程度强,计算量大。因过去使用的计算模型及参数存在缺陷,以及应用的二维模型简化方案的问题,使计算模型不能适用于含氢量显著差异的气体,故迄今仍未形成成熟的计算机仿真技术。为解决上述问题,采用计算流体力学理论建立了多场耦合的计算模型,然而借助于各种模型功能集成得更好的通用程序FLUENT6.3实现迭代求解,以避免因编写用户子程序而引起其它问题。再结合实验,校正了综合催化反应的模型参数,获得了较准确的化学速率前因子值。同时也认识到采用三维模型的必要性,为研究催化消氢过程提供了实用的计算机仿真方法。
Catalytic recombiner for removing hydrogen not only involves the chemical process of hydrogen-oxygen reaction,but also involves the physical process of gas flow with multi-species,heat and mass transfer,and so on.These mathematical equations show high corelations which each other and a great deal of calculation will be needed.Because of a deficiency in the computational model and parameter,and because of the issue of 2D model simplification,the computational model can not be used for the gases with significant difference in hydrogen content,and a mature technique in computer simulation has not yet been formed so far.Therefore,based on the theory of CFD,this paper established a computational model about multi field coupling.But with the help of universal code FLUENT 6.3under multipurpose integrating,the equations can be solved iteratively to avoid extra trouble caused by user subroutines.According to the exprimental data,the model parameter for the summarized catalytic reaction was corrected,and a more accurate pre-exponential factor of the Arrhenius rate was obtained.Meanwhile,the necessity of 3D computational model was also known.Thus,a useful method of computer simulation is provided for the research of hydrogen being eliminated by catalyst.
Catalytic recombiner for removing hydrogen not only involves the chemical process of hydrogen-oxygen reaction,but also involves the physical process of gas flow with multi-species,heat and mass transfer,and so on.These mathematical equations show high corelations which each other and a great deal of calculation will be needed.Because of a deficiency in the computational model and parameter,and because of the issue of 2D model simplification,the computational model can not be used for the gases with significant difference in hydrogen content,and a mature technique in computer simulation has not yet been formed so far.Therefore,based on the theory of CFD,this paper established a computational model about multi field coupling.But with the help of universal code FLUENT 6.3under multipurpose integrating,the equations can be solved iteratively to avoid extra trouble caused by user subroutines.According to the exprimental data,the model parameter for the summarized catalytic reaction was corrected,and a more accurate pre-exponential factor of the Arrhenius rate was obtained.Meanwhile,the necessity of 3D computational model was also known.Thus,a useful method of computer simulation is provided for the research of hydrogen being eliminated by catalyst.
引文
[1]邓坚,曹学武.氢气催化复合器对核电厂严重事故的缓解效果[J].原子能科学技术,2008-10:906-910.
[2]D M Prabhudharwadkar,K N Iyer.Simulation of Hydrogen Mitigation in Catalytic Recombiner.Part-II:Formulation of a CFD Model[J].Nuclear Engineering and Design 2011,241:1758-1767.
[3]M Heitsch.Fluid dynamic analysis of a catalytic recombiner to remove[J].Nuclear Engineering and Design.2000,201:1-10.
[4]帕坦卡(美).传热与流体流动的数值计算[M].北京:科学出版社,1984.
[5]R Siegel,J R Howell.Thermal Radiation Heal Transfer[M].Hemisphere Publishing Corporation,Washington DC,1992.
[6]G D Raithby,E H Chui.A Finite-Volume Method for Predicting a Radiant Heat Transfer in Enclosures with Participating Media[J].J.Heat Transfer.1990,112:415-423.
[7]0 Deutschmann,R Schmidt,F Behrendt,]Warnatz.Numerical Modeling of Catalytic Ignition[C].Twenty-Sixth Symposium(international)on Combustion,Naples,Italy,1996.
[8]T Kanzieiter.Experiments on the efficacy of hydrogen mitigation methods within a multi-compartment containment geometry[R],Final Report BleV-R67.036-01 Battelle-Institute,FrankfurtMain,Germany,1991.
[9]H Ikeda,P Libby,F A Williams,J Sato.Catalytic combustion of hydrogen-air mixtures in stagnation flows[J].Combustion and Flame.1993,93:138-148.
[10]D C Wilcox.Turbulence Modeling for CFD[M].DCW Industries,Inc.,La Canada,California,1998.
[11]K K Y Kuo.Principles of Combustion[M].John Wiley and Sons,New York,1986.
[2]D M Prabhudharwadkar,K N Iyer.Simulation of Hydrogen Mitigation in Catalytic Recombiner.Part-II:Formulation of a CFD Model[J].Nuclear Engineering and Design 2011,241:1758-1767.
[3]M Heitsch.Fluid dynamic analysis of a catalytic recombiner to remove[J].Nuclear Engineering and Design.2000,201:1-10.
[4]帕坦卡(美).传热与流体流动的数值计算[M].北京:科学出版社,1984.
[5]R Siegel,J R Howell.Thermal Radiation Heal Transfer[M].Hemisphere Publishing Corporation,Washington DC,1992.
[6]G D Raithby,E H Chui.A Finite-Volume Method for Predicting a Radiant Heat Transfer in Enclosures with Participating Media[J].J.Heat Transfer.1990,112:415-423.
[7]0 Deutschmann,R Schmidt,F Behrendt,]Warnatz.Numerical Modeling of Catalytic Ignition[C].Twenty-Sixth Symposium(international)on Combustion,Naples,Italy,1996.
[8]T Kanzieiter.Experiments on the efficacy of hydrogen mitigation methods within a multi-compartment containment geometry[R],Final Report BleV-R67.036-01 Battelle-Institute,FrankfurtMain,Germany,1991.
[9]H Ikeda,P Libby,F A Williams,J Sato.Catalytic combustion of hydrogen-air mixtures in stagnation flows[J].Combustion and Flame.1993,93:138-148.
[10]D C Wilcox.Turbulence Modeling for CFD[M].DCW Industries,Inc.,La Canada,California,1998.
[11]K K Y Kuo.Principles of Combustion[M].John Wiley and Sons,New York,1986.