Journal
CHEMICAL ENGINEERING SCIENCE
Volume 231, Issue -, Pages -Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ces.2020.116305
Keywords
Fixed bed; Computational fluid dynamics; Particle-resolved; Ethylene epoxidation; Radial heat transfer; Reactor modeling
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The study conducted particle-resolved 3-D computational fluid dynamics simulations of highly exothermic ethylene partial oxidation in a fixed bed to evaluate heterogeneous pseudo continuum reaction engineering models. The results showed differences in comparison to a previous study on endothermic steam methane reforming. Adjusting and improving the reactor models can enhance the accuracy of simulation results.
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. (C) 2020 Elsevier Ltd. All rights reserved.
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