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000903807 1001_ $$0P:(DE-Juel1)177000$$aHuang, Hong$$b0$$eCorresponding author$$ufzj
000903807 245__ $$aTheoretical calculations and CFD simulations of membrane reactor designs
000903807 260__ $$aAmsterdam [u.a.]$$bElsevier Science$$c2022
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000903807 520__ $$aMembrane reactors are promising for enabling various reactions that are thermodynamically-limited. Yet research into their design is often performed on a case-by-case basis; also, no general but quantified analysis has been conducted on the selection and matching of suitable membranes for reactions. In this study, we first introduce two dimensionless numbers, – namely the Damköhler (Da) and Péclet (Pe) numbers. We then develop the relationship of equilibrium constant-conversion-DaPe in a general form for membrane reactors, which incorporates the parameters of the operating conditions and reaction stoichiometric coefficients. To exemplify the relationship, it is applied to the reactions of the dry reforming of methane and reverse water gas shift using theoretical calculations. Subsequently, an analysis of the compatibility of the reaction kinetics and permeation flux, as well as the effects of reactor geometry characteristics is performed by means of CFD simulations. Finally, we discuss the relationship of the stoichiometric coefficient and conversion enhancement. Beyond the contribution to conversion enhancement by the operating conditions, it is informed that the contribution of the stoichiometric coefficient should also be effectively leveraged in order to achieve higher conversion enhancement, especially for reactions that feature higher equilibrium constants. The relationships derived in this study deliver insights into the selection and matching of membranes for a given reaction prior to detailed designs being developed.
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000903807 7001_ $$0P:(DE-Juel1)207065$$aSamsun, Remzi Can$$b1$$ufzj
000903807 7001_ $$0P:(DE-Juel1)129902$$aPeters, Ralf$$b2$$ufzj
000903807 7001_ $$0P:(DE-Juel1)129928$$aStolten, Detlef$$b3$$ufzj
000903807 773__ $$0PERI:(DE-600)1501538-5$$a10.1016/j.ces.2021.117284$$gp. 117284 -$$p117284 -$$tChemical engineering science$$v252$$x0009-2509$$y2022
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