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首页> 外文期刊>International Journal of Chemical Kinetics >A Heterogeneous Multiscale Dynamic Model for Simulation of Catalytic Reforming Reactors
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A Heterogeneous Multiscale Dynamic Model for Simulation of Catalytic Reforming Reactors

机译:催化重整反应器的异构多尺度动力学模型

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The present work aims to establish a generic reforming reaction scheme to evaluate the performance of catalytic reforming systems with the aid of a one-dimensional heterogeneous dynamic model. The novelty of the numerical model stems from the direct inclusion of interphase (fluid-to-particle surface), intraparticle (within particle), and intrareactor heat and mass transport resistances under transient conditions. The developed model accounts for the multicomponent gas mixture physicochemical properties and correlations for calculating mass and heat transfer coefficients. Effective macroscopic properties within the particle are calculated by incorporating diffusivities and conductivities of the porous network characteristics accounting for Knudsen and molecular transport as well as tortuosity and porosity of the overall porous path. The industrial case of a steam-methane reforming multitubular reactor was studied as the most representative case of the generic reaction scheme, with all mass/energy resistances present under severe pressure and temperature conditions. It was shown that there are notable diffusional limitations within the particle, whereas there are also temperature and partial pressure gradients due to the heat and mass transport resistances in the particle film layer. It is further demonstrated that the proposed model can be utilized as a versatile design tool for catalytic reactor development and optimization.
机译:本工作旨在建立一种通用的重整反应方案,以借助一维异质动力学模型评估催化重整系统的性能。数值模型的新颖性在于在瞬态条件下直接包含了相间(流体到颗粒的表面),颗粒内(颗粒内)以及反应器内的传热和传质阻力。所开发的模型考虑了多组分气体混合物的理化性质以及用于计算质量和传热系数的相关性。颗粒内有效的宏观性能是通过考虑到Knudsen和分子传输以及整个多孔路径的曲折度和孔隙度的多孔网络特性的扩散率和电导率来计算的。研究了蒸汽-甲烷重整多管反应器的工业案例,作为通用反应方案的最具代表性的案例,在严格的压力和温度条件下,所有的质量/能量抗性都存在。已经表明,在颗粒内存在明显的扩散限制,而由于在颗粒膜层中的传热和传质阻力,还存在温度和分压梯度。进一步证明,提出的模型可以用作催化反应器开发和优化的通用设计工具。

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