Faculty Publications
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Item Coupled computational fluid dynamics-discrete element method simulations of a pilot-scale batch crystallizer(American Chemical Society service@acs.org, 2015) Ali, B.; Börner, M.; Peglow, M.; Janiga, G.; Seidel-Morgenstern, A.; Thévenin, D.Computational fluid dynamics (CFD) coupled with the discrete element method (DEM) has been used to investigate numerically crystal dynamics in an existing pilot-scale batch crystallizer. The CFD-DEM combination provides a detailed description of crystal dynamics considering a four-way coupling. In a previous analysis,1 CFD had been coupled with a discrete phase model (DPM) using a simple one-way coupling. The corresponding predictions are then compared with those obtained through four-way coupling considering KH2PO4 crystals in water. From the CFD-DEM simulation, it is possible to investigate quantitatively the driving force controlling crystal growth and the interaction of crystals with reactor walls, baffles, and impellers. This delivers essential data for process improvement. Different seeding procedures were also compared. The seed crystals have been injected either within the complete liquid volume or, as in the experiments, through a funnel. By varying the most important crystallization process parameters, we found optimal conditions for a liquid phase volume in the crystallizer of 24 L, for injection through a funnel above the baffle, and for an initial seed crystal size of 0.5 mm. © 2014 American Chemical Society.Item Numerical investigation of engulfment flow at low Reynolds numbers in a T-shaped microchannel(American Institute of Physics Inc. claims@aip.org, 2020) Madana, V.S.T.; Ali, B.Microreactors play a major role in the intensification of industrial processes. The performance of microfluidic devices depends on the flow behavior and flow regimes present in such systems. In this work, single-phase flow behavior and associated flow regimes in a T-shaped microchannel are numerically analyzed using computational fluid dynamics (CFD). To predict the single-phase flow regimes, three dimensional transient CFD simulations are performed. The critical Reynolds number (Re) at which flow regime transition and onset of engulfment occur is identified (Recritical = 300). To achieve engulfment flow at lower Re, the inlet geometry of the microchannel is modified as a convergent (C)-divergent (D) section and its effect on engulfment flow is analyzed. When the C/D ratio is 9:1, the predicted pressure drop (?p) is found to be minimum (Recritical = 75, ?p = 5.4 kPa). The understanding of the engulfment flow regime is exploited through residence time distribution (RTD). The predicted RTD profiles indicate strong recirculation among vortices. The mixing index is calculated to quantify RTD, and it is found to be minimum when the C/D ratio is 9:1. The mixing performance is further verified by introducing buoyant particles in Lagrangian manner using discrete phase modeling. The predicted dynamics are qualitatively and quantitatively analyzed through Poincaré maps and Shannon's entropy for various convergent-divergent inlets to characterize mixing. Once again, the C/D ratio of 9:1 supports in enhancing mixing in the microchannel. Hence, the proposed micromixer based on geometric modifications at the inlet helps achieve the engulfment flow regime at low Re. © 2020 Author(s).