预测NOx排放的化学反应器网络自动生成方法  

Automatic generation method of a chemical reactor network for predicting NOx emissions

作　　者：高桥东 雷福林[1,2] 张哲巅 GAO Qiaodong;LEI Fulin;ZHANG Zhedian(Key Laboratory of Advanced Energy and Power,Institute of Engineering Thermophysics,Chinese Academy of Sciences,Beijing 100190,China;School of Engineering Sciences,University of Chinese Academy of Sciences,Beijing 100049,China)

机构地区：[1]中国科学院工程热物理研究所,先进能源动力重点实验室,北京100190 [2]中国科学院大学工程科学学院,北京100049

出　　处：《清华大学学报（自然科学版）》2023年第4期612-622,共11页Journal of Tsinghua University(Science and Technology)

基　　金：国家科技重大专项(Y2019-I-0022-0021)。

摘　　要：计算流体力学-化学反应器网络(computational fluid dynamics-chemical reactor network,CFD-CRN)方法是一种预测燃烧室排放的手段,如何快速构建合理的CRN是一个需要解决的问题。为实现CRN的自动划分、构建和求解,基于Python语言开发了CRN自动生成程序并集成了Cantera求解器;对贫预混燃烧器和微混模型燃烧器的NOx排放进行预测,并与实验数据对比验证,结果表明:给定划分标准,利用CRN自动生成程序可以读取CFD数据,实现快速有效地构建和求解CRN;利用CFD-CRN方法预测NOx排放,应考虑散热损失以提高预测准确度;在划分标准合理的前提下,减少CFD计算的网格数和CRN的反应器数量依然能保证NOx预测精度;同一CRN模版对不同工况有一定的适用性,可以用于预测相近工况的NOx排放。[Objective]In the design and development of combustion chambers,fast and reliable emission prediction tools are needed.One of the most extensively utilized technologies today is computational fluid dynamics(CFD)combined with a chemical reactor network(CRN).The manual division of the chemical reactor network is complex,and the calculation of chemical reactor parameters is rough.It can quickly and efficiently divide,build,and solve the CRN to estimate NOx emissions based on the CFD calculation results by developing an automatic generation method for the chemical reactor network.[Methods]The program for the automatic generation of CRN is developed based on Python language,and Cantera is integrated to solve the CRN.The CFD results are obtained by numerically simulating six working conditions of a lean premixed burner and five working conditions of a micromix burner.The CRN automatic generation program divides the combustion chamber domain into different reaction regions based on the division criteria of temperature field,velocity field,and geometric parameters.Meanwhile,when the cells are clustered,the chemical reactor parameters and mass flow rates between the chemical reactors are calculated.The different regions are replaced by reactors,such as the perfectly stirred reactor,and linked by flow controllers.The NOx emissions are obtained by solving the CRN through Cantera and compared with the experimental values.[Results]The parameters of the CRN could be accurately calculated by post-processing the CFD results with the CRN automatic generation program.Under different conditions in the same combustion chamber,the cells could be classified,and the corresponding CRN structure could be generated again by changing the division criteria.The temperature and pressure calculated by the volume-weighted average method and the mass-weighted average method differed in some reactors.However,the NOx values predicted by the two methods were basically identical.The CFD-CRN method predicted NOx emissions more accurately than the Flu

关 键 词：计算流体力学 化学反应器网络 生成方法 预混燃烧 NOx 

分 类 号：TK471[动力工程及工程热物理—动力机械及工程]