Abstract Particle-resolved 3-D computational fluid dynamics (PRCFD) simulations of highly exothermic ethylene partial oxidation in a fixed bed were made to evaluate heterogeneous pseudo continuum reaction engineering models. The ethylene oxidation results were compared to a previous study (Dixon, Chem. Eng. Sci., 168 , 156-177 (2017)) of endothermic steam methane reforming (SMR). The 1-D pseudo continuum reactor model predicted too high a reaction rate compared to the PRCFD simulations. Unlike the endothermic SMR, manipulation of the fluid-particle heat and mass transfer coefficients did not improve agreement. For the 2-D pseudo continuum reactor model, agreement was not helped by the inclusion of radial voidage and velocity profiles, but was improved by the radial heat transfer model, again in contrast to SMR. These results arose from the differences between heating from the strong heat flux applied to the tube wall, and from the weaker heat source supplied by reaction in the main fixed bed.

中文翻译：

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固定床反应器管中的局部传输和反应速率：乙烯的放热部分氧化

摘要 对固定床中高放热乙烯部分氧化进行粒子分辨 3-D 计算流体动力学 (PRCFD) 模拟，以评估非均相拟连续反应工程模型。将乙烯氧化结果与吸热蒸汽甲烷重整 (SMR) 的先前研究 (Dixon, Chem. Eng. Sci., 168, 156-177 (2017)) 进行比较。与 PRCFD 模拟相比，一维伪连续反应器模型预测的反应速率太高。与吸热 SMR 不同，对流体-颗粒传热和传质系数的操纵并没有提高一致性。对于 2-D 伪连续反应器模型，加入径向空隙率和速度分布无助于达成一致，但与 SMR 相比，径向传热模型得到了改进。