A mathematical model for a single slit packed microstructured reactor-heat exchanger in the synthesis of methanol from syngas was developed. The model constitutes a simplified 3D-pseudo homogeneous approach for a reaction slit with integrated pillar geometry. Literature kinetic rate expressions for methanol synthesis over commercial Cu/ZnO/support type catalysts were applied at 80 bar total pressure, temperature range of 473-558 K, and syngas composition of H₂/CO/CO₂/N₂:65/25/5/5 mol%. The model is found capable of predicting experimental CO conversion data with acceptable accuracy. Superior thermal stability of the microchannel upon variation of different parameters such as contact time, feed gas temperature and reaction temperature were shown. The simulation results also reveal that the microchannel reactor can operate free of performance loss due to concentrations field that may arise from overlaid temperature fields. Simulations have also been used to calculate the rapid temperature transients at the inlet. The agreement between simulation results and experimental data signifies the applicability of the developed model for further design and performance optimization of microstructured reactors for methanol synthesis and other exothermic processes.

建立了由合成气合成甲醇的单缝填充微结构反应器-换热器的数学模型。该模型为具有集成柱几何的反应缝构成了简化的3D-伪均质方法。在总压力为80 bar，温度范围为473-558 K且合成气成分为H ₂ / CO / CO ₂ / N _2的条件下，应用了商用Cu / ZnO /载体型催化剂上甲醇合成的动力学速率表达式。：65/25/5/5 mol％。发现该模型能够以可接受的精度预测实验性CO转化数据。显示了在改变诸如接触时间，进料气体温度和反应温度之类的不同参数时微通道的优异的热稳定性。仿真结果还表明，由于重叠温度场可能引起的浓度场，微通道反应器可以在没有性能损失的情况下运行。模拟也已用于计算入口处的快速温度瞬变。仿真结果与实验数据之间的一致性表明，所开发的模型适用于甲醇合成和其他放热过程的微结构反应器的进一步设计和性能优化。