正仲氢转化器双重介质渗流模型的IMPTECR算法

IMPTECR Algorithm for the Dual-porosity Seepage Model of Ortho-parahydrogen Converter

  • 摘要: 为研究多孔介质中正仲氢催化转化过程的传热传质特性,基于双重介质模型分别构建颗粒孔隙与堆床空隙的质量守恒方程和能量守恒方程,将关键物理效应转化为控制方程组中的源项进行表征。针对该过程压力场、温度场、组分比例场不同的特征时间,仲氢(或正氢)组分比例场变化更为剧烈,控制方程中的非定常项易造成数值弥散或振荡。论文引入 IMPES 算法相似的隐式-显式分步求解思想,提出隐式压力及温度-显式组分比例(IMPTECR)算法,核心目的在于分离非定常项得到形式上类似于稳态问题的压力场和温度场控制方程,采用“压力场隐式求解-温度场隐式求解-组分比例场显式求解”的分步求解策略,再结合控制容积法对控制方程进行离散求解。数值算例表明,IMPTECR 算法在绝热与等温工况下均表现出良好的收敛性和稳定性,可避免数值振荡与误差累积。基于Hutchinson等报道的正仲氢催化转化实验数据,对所建立的数值求解模型进行了验证,通过对比模型预测值与实验实测值,证实了该数值求解模型的准确性。研究为正仲氢转化器的数值模拟及优化设计提供了可靠算法。

     

    Abstract: To explore the heat and mass transfer laws of ortho-para hydrogen catalytic conversion in porous media, this study establishes mass and energy conservation equations for particle pores and bed voids separately based on a dual-porosity medium model. Key physical effects in the conversion process, such as catalytic reaction kinetics and interphase heat/mass transfer, are characterized as source terms in the governing equations, enabling accurate description of complex physical processes in the multi-scale pore structure. Aiming at the core problem in the multiphase seepage system of ortho-para hydrogen converters—significant time-scale differences among the pressure field, temperature field, and component ratio field, with the ortho/para hydrogen ratio field changing sharply and its steep gradient regions easily causing numerical dispersion and oscillations—this study introduces the implicit-explicit stepwise solution idea of the IMPES algorithm and proposes the Implicit Pressure and Temperature-Explicit Component Ratio(IMPTECR) algorithm. Through equivalent algebraic transformation, the algorithm eliminates the time derivative term of the component ratio, and adopts a stepwise strategy of "implicit solution for pressure field-implicit solution for temperature field-explicit solution for component ratio field" to effectively decouple strongly coupled unknowns. Subsequently, the control volume method is used for discretization and numerical solution of the governing equations. Numerical results show that the IMPTECR algorithm exhibits excellent convergence and numerical stability under both adiabatic and isothermal conditions, which can effectively suppress numerical oscillations and error accumulation. Validated against the ortho-para hydrogen catalytic conversion experimental data reported by Hutchinson et al., the model predictions of conversion rate and bed temperature distribution are in good agreement with experimental measurements, confirming the accuracy and reliability of the numerical solution model. This study provides a reliable method for the numerical simulation and optimal design of ortho-para hydrogen conversion systems in porous media.

     

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