Abstract We present a three-dimensional (3-D) steam-methane-reforming (SMR) model consisting of a steam-reforming (SR) reactor, water gas shift reactor, preferential oxidation reactor, catalytic burner, heat exchangers, and balance of plant components. The mass and energy balance equations are derived considering the kinetic expressions of various SMR reactions and implemented in the commercial computational fluid dynamics software program Fluent by employing user-defined functions. The 3-D SMR model is then applied to a 10-kW SR reformer geometry and simulated for comparison with in-house experimental data. The simulation results and the experimental data show good agreement, and the model accurately captures the experimental exhaust gas compositions and the reactor outlet temperatures. The proposed 3-D simulation tool for predicting various transport and chemical processes is highly desirable from the viewpoint of design and optimization of full-scale SMR-based fuel processors.

中文翻译：

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蒸汽甲烷重整制氢燃料处理器多维建模

摘要 我们提出了一个三维 (3-D) 蒸汽 - 甲烷重整 (SMR) 模型，由蒸汽重整 (SR) 反应器、水煤气变换反应器、优先氧化反应器、催化燃烧器、热交换器和平衡的植物成分。质量和能量平衡方程是考虑到各种 SMR 反应的动力学表达式得出的，并通过使用用户定义的函数在商业计算流体动力学软件程序 Fluent 中实现。然后将 3-D SMR 模型应用于 10 kW SR 重整器几何形状并进行模拟以与内部实验数据进行比较。模拟结果与实验数据吻合良好，模型准确捕捉了实验废气成分和反应器出口温度。