Abstract
Advanced-flow reactor (AFR) technology is an alternative to scale-up continuous flow chemistries from micro to milli scales, while retaining mass and heat transfer performance. Here we conduct two-phase computational fluid dynamic (CFD) simulations using the open source software OpenFOAM in order to predict hydrodynamic parameters in the AFR for different operating conditions. After modification and validation of the interFoam solver based on the volume-of-fluid method to account for mass transfer across immiscible interfaces, it is applied to the AFR to predict specific interfacial areas (a) and individual mass transfer coefficients (kL) to yield overall mass transfer coefficients (kLa). The results are in good agreement with semiempirical values and the surface renewal theory of Danckwerts, except at the largest flow rates for which numerical coalescence is observed. A study of the influence of fluid properties yields the following conclusions. The contact angle is the variable that affects the flow pat...
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