Modeling and 3D-simulation of hydrogen production via methanol steam reforming in copper-coated channels of a mini reformer
Modeling and 3D-simulation of hydrogen production via methanol steam reforming in copper-coated channels of a mini reformer
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DOI：
10.1016/j.jpowsour.2017.03.120
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发表时间：
2017-06
影响因子：
9.2
通讯作者：
Ataallah Sari;Javad Sabziani
中科院分区：
文献类型：
--
作者：
Ataallah Sari;Javad Sabziani
通过对13条平行通道的三维微反应器进行建模和CFD模拟，研究了Cu/ZnO/ al2o3催化剂下甲醇蒸汽重整制氢反应。由Peppley和同事[49]报道的著名的Langmuir-Hinshelwood宏观动力学速率表达式被认为是甲醇蒸汽重整反应的模型。考察了进口汽甲醇比、预热温度、通道几何形状和尺寸以及外部热流强度对氢气质量和数量（即氢气流速和CO浓度）的影响。此外，还研究了将反应器出水通过与甲醇重整器串联的水煤气移位通道降低CO浓度的可能性。然后，将模拟结果与文献报道的实验数据进行比较，采用混合平均公式和麦克斯韦-斯蒂芬公式两种不同的方法来计算质量的扩散通量。结果表明，在较低进料流量条件下，麦克斯韦-斯蒂芬模型的预测结果比混合平均模型更符合实验数据。
Modeling and CFD simulation of a three-dimensional microreactor includes thirteen structured parallel channels is performed to study the hydrogen production via methanol steam reforming reaction over a Cu/ZnO/Al2O3catalyst. The well-known Langmuir-Hinshelwood macro kinetic rate expressions reported by Peppley and coworkers [49] are considered to model the methanol steam reforming reactions. The effects of inlet steam to methanol ratio, pre-heat temperature, channels geometry and size, and the level of external heat flux on the hydrogen quality and quantity (i.e., hydrogen flow rate and CO concentration) are investigated. Moreover, the possibility of reducing the CO concentration by passing the reactor effluent through a water gas shift channel placed in series with the methanol reformer is studied. Afterwards, the simulation results are compared with the experimental data reported in the literature considering two different approaches of mixture-averaged and Maxwell-Stefan formulations to evaluate the diffusive flux of mass. The results indicate that the predictions of the Maxwell-Stefan model is in better agreement with experimental data than mixture-averaged one, especially at the lower feed flow rates.