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Gas–liquid two phase flows are widely encountered in industry. The design parameters include two phase pressure drop, mixing and axial mixing in both the phases, effective interfacial area, heat and mass transfer coefficients. Currently, there is a high degree of empiricism in the design process of such reactors owing to the complexity of coupled flow and reaction mechanism. Hence, we focus on synthesizing recent advances in computational and experimental techniques that will enable future designs of such reactors in a more rational manner by exploring a large design space with high-fidelity models (computational fluid dynamics) that are validated with high-fidelity measurements (hot film anemometry (HFA), Laser Doppler anemometry (LDA), particle image velocimetry (PIV), etc.) to provide a high degree of rigor. Understanding the spatial distributions of dispersed phases and their interaction during scale up are key challenges that were traditionally addressed through pilot scale experiments, but now can be addressed through advanced modelling. For practically complete knowledge of the fluid mechanical parameters, it is desirable to implement direct numerical simulations (DNS). However, the current computational power does not permit full DNS for real bubble columns. Therefore, we have been using simplified turbulence models (such as large eddy simulation, Reynolds stress, k – ε , etc.) which need the knowledge of turbulence parameters. For the estimation of these parameters, currently semi-empirical procedures are being used pending the knowledge of turbulence. Further, the formulation of governing equations in all the CFD models (except DNS), the knowledge of interface forces (drag, lift, virtual mass, Basset, etc.) is needed and for their estimations empirical correlations are being employed, again pending the knowledge of fluid mechanics under turbulent conditions in bubble columns. In gas–liquid dispersions, the gas is sparged in the form of bubbles. During the bubble rise, the mechanism of wake detachment creates turbulence which can be called as wake generated turbulence. In addition, energy gets transferred from the gas phase to liquid phase. The quantitative amounts are negligible when bubble motion is not hindered and the gas–liquid dispersion is homogenous. The amounts increase with an increase in the extent of hindrance. However, in the homogenous regime, even under extreme conditions, the extent of energy transfer in the bulk gas–liquid dispersions (volume other than wake volume) is fairly limited. On contrast, in the heterogeneous regime, the rates of energy transfer become sizeable. The energy received by the liquid (in both the regimes) also creates turbulent motion and termed as bulk generated turbulence. In turbulent flows a compendium of eddies (flow structures) of different length and time scales contribute towards improved/enhanced mixing, momentum transfer, heat transfer, and mass transfer (transport phenomena). Hence, a proper understanding of the dynamics of these turbulent flow structures, and their role in the transport phenomena, can bring substantial improvement in the scale-up and design procedures. The present paper brings out the current status of knowledge on bubble generated turbulence. All the published literature in experimental measurements and DNS simulations has been critically analysed and coherently presented. [ABSTRACT FROM AUTHOR]

Abstract: This paper presents the state of the art regarding the understanding of axial mixing in pulsed columns. Residence Time Distribution (RTD) experiments carried out mainly between 1986 and 2002 are reviewed in connection with fluid mechanics studies and CFD simulations. Based on prior work by Buratti (1988), a new model is established to correlate the continuous phase axial dispersion coefficient with the operating conditions in a wide range of operating (pulse intensity up to 7.5cms−1) and geometric conditions (0.17≤H/D≤1.33), thereby reducing the estimation error from 143% to 21% in the case of small-aspect ratio columns (H/D<1), such as those used in nuclear research, and from 95% to 27% in the case of (possibly annular) industrial size columns. Experimental results are relatively well reproduced by RANS-type computational fluid dynamics (CFD) simulations, provided a low-Reynolds model is used for the turbulent viscosity estimation. [Copyright &y& Elsevier]

Abstract: The aim of this study was to find models for turbulent fragmenting forces in the high-pressure homogeniser from data available in Computational Fluid Dynamics (CFD) simulations with Reynolds Averaged Navier Stokes (RANS) turbulence models. In addition to the more common RANS k–ε turbulence models, a Multi-scale k–ε model was tested since experimental investigations of the geometry imply large differences in behaviour between turbulent eddies of different length-scales. Empiric models for the driving hydrodynamic factors for turbulent fragmentation using the extra information given by multi-scale simulations were developed. These models are shown to give a more reasonable approximation of local fragmentation than models based on the previously used RANS k–ε models when comparing to hydrodynamic measurements in an experimental model. [Copyright &y& Elsevier]

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: Since the emulsification in the High-Pressure Homogenizer (HPH) is controlled by hydrodynamic forces, the turbulent flow field in the valve region is of significant interest. Computational Fluid Dynamics (CFD) simulations have been used for this in many studies. However, there are reasons to question if the utilized turbulence models, with their inherent assumptions and simplifications, could accurately describe the influential aspects of the flow. This study compares CFD simulations using the methods from previous studies with experimental measurements in a model HPH valve. The results show that the region upstream of the gap can be described accurately regardless of turbulence model and that the gap region can be captured by using one of the more refined k−ε models. None of the studied turbulence models were able to describe the details of the highly turbulent region downstream of the gap. The obtained results are also discussed in relation to generalizability and limitations in using CFD simulations for understanding the emulsification in the HPH. [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]

Abstract: This paper proposes that a diesel oxidation catalyst (DOC) operating within the fully turbulent flow regime is an efficient means of reducing the contents of particulate matter in the exhaust gases. The suggested mode of operation is in contrast to the fact that the DOCs are typically operated within the laminar flow regime. In the paper, the particle trapping efficiency and pollutant conversion in turbulent ceramic DOCs are calculated using both mass-transfer correlations available in the literature and computational fluid dynamics (CFD). It is shown that a turbulent DOC substantially increases the removal of small particulates from the exhaust gases. This indicates the potential of the aftertreatment system to comply with the forthcoming number-based emission legislations on particulate matter. In addition, the turbulent DOC can be used to optimize the overall performance of a combined system consisting of a DOC and a diesel particulate filter. [Copyright &y& Elsevier]

Abstract: This work presents a comprehensive study of different turbulence models, including the k–ε, SST, SSG–RSM and the SAS–SST models, for simulating turbulent flow in a baffled tank stirred with a Rushton turbine. All the turbulence models tested predict the mean axial and tangential velocities reasonably well, but under-predict the decay of mean radial velocity away from the impeller. The k–ε model predicts poorly the generation and dissipation of turbulence in the vicinity of the impeller. This contrasts with the SST model, which properly predicts the appearance of maxima in the turbulence kinetic energy and turbulence energy dissipation rate just off the impeller blades. Curvature correction improves the SST model by allowing a more accurate prediction of the magnitude and location of these maxima. However, neither the k–ε nor the SST model is able to properly capture the chaotic and three-dimensional nature of the trailing vortices that form downstream of the blades of the impeller. In this sense, the SAS–SST model produces more physical predictions. However, this model has some drawbacks for modelling stirred tanks, such as the large number of modelled revolutions required to obtain good statistical averaging for calculating turbulence quantities. Taking into consideration both accuracy and solution time, the SSG–RSM model is the least satisfactory model tested for predicting turbulent flow in a baffled stirred tank with a Rushton turbine. [Copyright &y& Elsevier]

Abstract: An experimental study and numerical investigation of thermal mixing are carried out on tandem twin jets in cross flow. Experiments were carried out for velocity ratios 1, 2 and 4 for 15°C temperature difference between main pipe and jet fluid. Velocity and temperature fields are measured using Hot Film Anemometer (HFA). Three dimensional steady state Computational Fluid Dynamics (CFD) simulations have been carried out to predict the velocity and temperature fields. The predicted velocity and temperature fields are in good agreement with the experimental measurements. Temperature fluctuations have been predicted using temperature variance model. The effect of jet spacing for different velocity ratios is studied. For jet spacing equal to twice the jet diameter, both the jets influence each other. Increase in the jet spacing decreases the effect of jets on each other. [Copyright &y& Elsevier]

Abstract: Three-compartment model was used to study non-homogeneity of mixing in a fully baffled stirred tank. Multiple reference frame (MRF) technique was used for calculations. Calculations were performed to study the effects of agitator speed, impeller diameter, baffle width and distance of impeller from bottom of the tank on turbulent flow field. Three different zones of the vessel, that were a small zone near the impeller, another zone around the baffles, and a relatively large zone far from the impeller and baffles, named circulation zone, were investigated. Boundaries of these zones were determined using two different methods. The first method used gradient of energy dissipation rate while the other method used cumulative energy dissipation rate to determine the zone boundaries. Zone boundaries determined by both methods were comparable. The turbulent kinetic energy dissipation rate gradient was the preferred method due to its simplicity. Turbulent kinetic energy dissipation rate increased with agitator speed in all zones. Both turbulent kinetic energy dissipation rate and turbulent kinetic energy showed considerable change with impeller diameter at impeller zone, while no remarkable change was observed at baffle and circulation zones. Three-compartment model parameters, impeller and baffle energy dissipation ratios λ i, λ b, impeller and baffle volume ratios μ i, μ b and impeller and baffle exchange flow rates Q i, Q b were obtained from CFD simulations. Impeller energy dissipation ratio, impeller exchange flow rate and baffle exchange flow rate increased while baffle volume ratio decreased with agitation rate and impeller diameter. Baffle energy dissipation ratio and impeller volume ratio showed no considerable change with agitation rate and impeller diameter. [Copyright &y& Elsevier]

Abstract: Eddy viscosity models (EVM) constitute a powerful approach for turbulence modeling in engineering applications. However, the correct formulation of EVM models is still subject to discussion, in particular the impact of model parameters on the practical relevance of models in different classes of application scenarios is not fully understood. A systematic approach for assessing parameter impact involves optimization methods for computational fluid dynamics that allow for quantitative model analysis by rigorous comparison with experimental data. In order to illustrate this systematic approach, the – turbulence model is analyzed on the basis of laser Doppler velocimetry measurements for the flow between two plates. It is shown that ad hoc approaches for adapting parameter values for the – model may easily fail due to over-parameterization of the underlying model or insufficient data. Therefore, an a priori method for the identification of potential problems is important which is based on the sensitivity coefficients of the measurements with respect to the model parameters. The commercial software package FLUENT employed in our application is augmented using the automatic differentiation system ADIFOR for efficient sensitivity computation. Taken together, this results in reliable a priori methods for model assessment and calibration. Noteworthy, the choice of turbulence parameters on the basis of the formal a priori analysis agrees well with the physical understanding of the – model. [Copyright &y& Elsevier]

Abstract: Liquid-phase turbulent transport in a confined rectangular wake was investigated for a Reynolds number of 37,500 based on bulk velocity and the hydraulic diameter of the test section and a Schmidt number of 1250 using particle image velocimetry (PIV) and planar laser-induced fluorescence (PLIF). The velocity and concentration field data were analyzed for flow statistics such as the mean velocity, Reynolds stresses, turbulent kinetic energy, turbulent dissipation rate, mixture-fraction mean, mixture-fraction variance and one-point composition probability density functions (PDF). Computational fluid dynamics (CFD) models, including a two-layer – turbulence model, a scalar gradient-diffusion model and a scalar dissipation rate model were validated against PIV and PLIF data collected at six downstream locations. Low-Reynolds-number effects on turbulent transport were taken into consideration through the mechanical-to-scalar time-scale ratio. The experimental and computational results were found to be in satisfactory agreement. [Copyright &y& Elsevier]

Abstract: A study was performed that utilizes the quadrature method of moments (QMOM) to model the transient spatial evolution of the floc size in a heterogeneous turbulent stirred reactor. The QMOM approach was combined with a commercial computational fluid dynamics (CFD) code (PHOENICS), which was used to simulate the turbulent flow and transport of these aggregates in the reactor. The CFD/QMOM model was applied to a 28l square reactor containing an axial flow impeller and 100mg/l concentration of 1 m nominal clay particles. Simulations were performed for different average characteristic velocity gradients (, and 150s). The average floc size and growth rate were compared with experimental measurements performed in the bulk region and the impeller discharge region. The CFD/QMOM results confirmed the experimentally measured spatial heterogeneity in the floc size and growth rate. In addition, the model predicts spatial variations in the aggregation and breakup rates. Finally, the model also predicts that the transport of flocs into the high shear impeller discharge zone was responsible for the transient evolution of the average floc size curve displaying a maximum before decreasing to a steady-state floc size. [Copyright &y& Elsevier]

Abstract: The present paper demonstrates how 2D, dynamic simulations of a flat bubble column are feasible, applying state-of-the-art dynamic turbulence models, when an appropriate turbulent dispersion term is applied in the conservation equation for the gas volume fraction. The turbulence model yielded a better qualitative prediction of the bubble plume than the model, due to the low-Reynolds number treatment of the former model. The simple mixing length turbulence model gave the best prediction of the meandering plume, without any dispersion term. The mixing length model is, however, almost identical to a Large-Eddy simulation when run time-dependent on a fine mesh, and should be applied with care due to the use of a constant turbulence length scale and the inherent 3D nature of turbulence. By refining the mesh to the extreme end, it was shown that an apparently grid independent numerical solution was really grid-dependent, even when dynamic turbulence models were applied. The apparently grid independent solution was computed with an increment in the computational mesh that was of the same size as an equilibrium Kolmogorov length scale. [Copyright &y& Elsevier]

Abstract: Computational fluid dynamics as a simulation tool allows obtaining a more detailed view of the fluid flow and heat transfer mechanisms in fixed-bed reactors, through the resolution of 3D Reynolds averaged transport equations, together with a turbulence model when needed. In this way, this tool permits obtaining of mean and fluctuating flow and temperature values in any point of the bed. An important problem when modeling a turbulent flow fixed-bed reactor is to decide which turbulence model is the most accurate for this situation. To gain insight into this subject, this study presents a comparison between the performance in flow and heat transfer estimation of five different RANS turbulence models in a fixed bed composed of 44 homogeneous stacked spheres in a maximum space-occupying arrangement in a cylindrical container by solving the 3D Navier–Stokes and energy equations by means of a commercial finite volume code, Fluent 6.0. Air is chosen as flowing fluid. Numerical pressure drop, velocity and thermal fields within the bed are obtained. In order to judge the capabilities of these turbulence models, heat transfer parameters (Nu , k /k ) are estimated from numerical data and together with the pressure drop are compared to commonly used correlations for parameter estimations in fixed-bed reactors. [Copyright &y& Elsevier]