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Abstract: Micromixing of viscous systems in a stirred-tank reactor with Rushton turbine is investigated numerically. It is characterized by the product selectivity of parallel competitive reactions. Flow fields inside the reactor are determined by the Reynolds Stress Model (RSM). A computational fluid dynamics (CFD) method combining the standard E model and Finite-Rate/Eddy-Dissipation (FR/ED) model is implemented and is validated using experimental data in the literature. The simulations show that a higher agitation speed, a lower fluid viscosity and/or a feeding location closer to the discharge area of the impeller favor micromixing and the reaction rate. The trajectory of the reaction plume also influences the micromixing performance. The value of the FR/ED model parameter determined by lab-scale experiments decreases with increasing fluid viscosity. However, it is little affected by the agitation speed. These results provide useful guidelines for the scale-up of industrial reactors with complex chemical reactions. [Copyright &y& Elsevier]

Abstract: Large Eddy Simulations (LESs) were performed for a confined rectangular liquid jet with a co-flow and compared in detail with particle image velocimetry (PIV) measurements. A finite-volume CFD library, OpenFOAM, was used to discretize and solve the filtered Navier–Stokes equation. The effects of grid resolution, numerical schemes and subgrid models on the LES results were investigated. The second and fourth order schemes gave similar performance, while the fourth order scheme costs much more computationally. Subgrid model comparison showed that the locally dynamic procedure is necessary for complex flow simulation. Model validation was performed by comparing LES data for the point-wise velocity statistics such as the mean and the root-mean-square velocity, shear stress, correlation coefficient, velocity skewness and flatness with the PIV data. In addition, LES data for the two-point spatial correlations of velocity fluctuations that provide structural information were computed and compared with PIV data. Good agreement was observed leading to the conclusion that the LES velocity field accurately captures the important characteristics of all the turbulent length scales present in the flow, from the fully resolved energy-containing eddies to the subgrid-scale dissipative eddies. [Copyright &y& Elsevier]