A comprehensive computational fluid dynamic model has been developed using COMSOL Multiphysics 5.4 software to predict the behavior of a membrane reactor in dehydrogenation of methylcyclohexane for hydrogen production. A reliable reaction kinetic of dehydrogenation reaction and a permeation mechanism of hydrogen through silica membrane have been used in computational fluid dynamic modeling. For performance comparison, an equivalent traditional fixed bed reactor without hydrogen removal has been also modeled. After model validation, it has been used to evaluate the operating parameters effect on the performance of both the silica membrane reactor and the equivalent traditional reactor as well. The operating temperature ranged between 473 and 553 K, pressure between 1 and 2.5 bar, sweep factor from ˜6.22 to 25 and feed flow rate from 1 to 5 × 10⁻⁶ mol/s. The membrane reactor performed better than the equivalent traditional reactor, achieving as best result complete methylcyclohexane conversion and 96% hydrogen recovery.

已使用COMSOL Multiphysics 5.4软件开发了一个全面的计算流体动力学模型，以预测膜反应器在甲基环己烷脱氢生产氢气中的行为。在计算流体动力学模型中已经使用了可靠的脱氢反应动力学和氢通过硅胶膜的渗透机理。为了进行性能比较，还对没有除氢的等效传统固定床反应器进行了建模。在模型验证之后，已将其用于评估操作参数对硅胶膜反应器和同等传统反应器性能的影响。工作温度在473至553 K之间，压力在1至2.5 bar之间，扫描系数在6.22至25之间，进料流速在1至5×10之间^-6  mol / s。膜反应器的性能优于同等的传统反应器，以最好的结果实现了甲基环己烷的完全转化和96％的氢气回收率。