CFD simulation of bubble columns incorporating population balance modeling

A computational fluid dynamics (CFD)-code has been developed using finite volume method in Eulerian framework for the simulation of axisymmetric steady state flows in bubble columns. The population balance equation for bubble number density has been included in the CFD code. The fixed pivot method of Kumar and Ramkrishna [1996. On the solution of population balance equations by discretization—I. A fixed pivot technique. Chemical Engineering Science 51, 1311-1332] has been used to discretize the population balance equation. The turbulence in the liquid phase has been modeled by a k-ε model. The novel feature of the framework is that it includes the size-specific bubble velocities obtained by assuming mechanical equilibrium for each bubble and hence it is a generalized multi-fluid model. With appropriate closures for the drag and lift forces, it allows for different velocities for bubbles of different sizes and hence the proper spatial distributions of bubbles are predicted. Accordingly the proper distributions of gas hold-up, liquid circulation velocities and turbulence intensities in the column are predicted. A survey of the literature shows that the algebraic manipulations of either bubble coalescence or break-up rate were mainly guided by the need to obtain the equilibrium bubble size distributions in the column. The model of Prince and Blanch [1990. Bubble coalescence and break-up in air-sparged bubble columns. A.I.Ch.E. Journal 36, 1485-1499] is known to overpredict the bubble collision frequencies in bubble columns. It has been modified to incorporate the effect of gas phase dispersion number. The predictions of the model are in good agreement with the experimental data of Bhole et al. [2006. Laser Doppler anemometer measurements in bubble column: effect of sparger. Industrial & Engineering Chemistry Research 45, 9201-9207] obtained using Laser Doppler anemometry. Comparison of simulation results with the experimental measurements of Sanyal et al. [1999. Numerical simulation of gas-liquid dynamics in cylindrical bubble column reactors. Chemical Engineering Science 54, 5071-5083] and Olmos et al. [2001. Numerical simulation of multiphase flow in bubble column reactors: influence of bubble coalescence and breakup. Chemical Engineering Science 56, 6359-6365] also show a good agreement for liquid velocity and gas hold-up profiles.     

Models for the Numerical Simulation of Bubble Columns: A Review

This work reviews the state‐of‐the‐art models for the simulation of bubble columns and focuses on methods coupled with computational fluid dynamics (CFD) where the potential and deficits of the models are evaluated. Particular attention is paid to different approaches in multiphase fluid dynamics including the population balance to determine bubble size distributions and the modeling of turbulence where the authors refer to numerous published examples. Additional models for reactive systems are presented as well as a special chapter regarding the extension of the models for the simulation of bubble columns with a present solid particle phase, i.e., slurry bubble columns.     

Development of a CFD Model of Bubble Column Bioreactors: Part Two – Comparison of Experimental Data and CFD Predictions

The application of computational fluid dynamics (CFD) as a tool to simulate bubble column bioreactors is investigated. A three‐dimensional model utilizing the Euler‐Euler approach is evaluated. The role of various terms, i.e., lift, drag, bubble‐induced turbulence, and volume fraction correction terms for drag, is determined. Good agreement between experimental data and simulation results was obtained by means of a single‐bubble size model provided that bubble‐induced turbulence and the reduction in drag due to the presence of other bubbles were taken into account.     

Compressibility induced bubble size variation in bubble column reactors: Simulations by the CFD–PBE

Bubble column reactors can be simulated by the two fluid model (TFM) coupled with the population balance equation (PBE). For the large industrial bubble columns, the compressibility due to the pressure difference may introduce notable bubble size variation. In order to address the compressibility effect, the PBE should be reformulated and coupled with the compressible TFM. In this work, the PBE with a compressibility term was formulated from single bubble dynamics, the mean Sauter diameters predicted by the compressible TFM coupled with the PBE were compared with the analytical solutions obtained by the ideal gas law. It was proven that the mesoscale formulations presented in this work were physically consistent with the macroscale modeling. It can be used to simulate large industrial plants when the compressibility induced bubble size variation is important.     

Bubble size modeling approach for the simulation of bubble columns

The constant bubble size modeling approach (CBSM) and variable bubble size modeling approach (VBSM) are frequently employed in Eulerian–Eulerian simulation of bubble columns. However, the accuracy of CBSM is limited while the computational efficiency of VBSM needs to be improved. This work aims to develop method for bubble size modeling which has high computational efficiency and accuracy in the simulation of bubble columns. The distribution of bubble sizes is represented by a series of discrete points, and the percentage of bubbles with various sizes at gas inlet is determined by the results of computational fluid dynamics (CFD)–population balance model (PBM) simulations, whereas the influence of bubble coalescence and breakup is neglected. The simulated results of a 0.15 m diameter bubble column suggest that the developed method has high computational speed and can achieve similar accuracy as CFD–PBM modeling. Furthermore, the convergence issues caused by solving population balance equations are addressed.     

Multi‐Phase‐Multi‐Size‐Group Model for the Inclusion of Population Balances into the CFD Simulation of Gas‐Liquid Bubbly Flows

A CFD model for the simulation of gas‐liquid bubbly flow is developed. In the model, the multi‐phase flow is simulated by an Eulerian‐Eulerian approach using several phase definitions (from 3 to 10). The bubble size distribution is simulated by a solution of the discretized population balance equation with coalescence and break‐up of bubbles. The number of the discretized population balance equations in the model is larger than the number of the phases used in the flow field simulation. A desired accuracy in the simulation can be achieved by choosing a suitable number of phases as a compromise between accuracy and computational cost. With this model, more detailed flow hydrodynamics and bubble size distribution can be obtained. The model was tested with different operating conditions and for different numbers of dispersed phases in a bubble column, and was verified with a bubble size distribution obtained experimentally.     

A novel algorithm for solving population balance equations: the parallel parent and daughter classes. Derivation, analysis and testing

A novel numerical method, the parallel parent and daughter classes (PPDC) technique, for solving population balance equations (PBEs) is presented in this paper. In many practical applications, the PBE of particles under investigation is coupled with the thermo-fluid dynamics of the surrounding fluid. Hence, the PBE needs to be implemented in a computational fluid dynamics (CFD) code, which leads to an additional computational load. The computational cost becomes intractable when techniques such as methods of classes (CM) or Monte Carlo method are used. Quadrature method of moments (QMOM) and direct quadrature method of moments (DQMOM) are accurate and require a relatively low additional computational cost when applied to CFD. The PPDC is shown to be as accurate as QMOM and DQMOM, and even more accurate in some cases, when the same number of classes is used. In the present work, the PPDC technique has been derived and tested. This technique can be used for solving a wide class of problems involving PBE such as polymerization, aerosol dynamics, bubble columns, etc. Numerical simulations have been carried out on aggregation processes with different kernels and on simultaneous aggregation and breakage processes. The numerical predictions are compared either with analytical solutions, when available, or with the numerical solutions obtained by methods of classes.     

A multi‐QMOM framework to describe multi‐component agglomerates in liquid steel

A variant of the quadrature method of moments (QMOM) for solving multiple population balance equations (PBE) is developed with the objective of application to steel industry processing. During the process of oxygen removal in a steel ladle, a large panel of oxide inclusions may be observed depending on the type of oxygen removal and addition elements. The final quality of the steel can be improved by accurate numerical simulation of the multi‐component precipitation. The model proposed in this article takes into account the interactions between three major aspects of steelmaking modeling, namely fluid dynamics, thermo‐kinetics and population balance. A commercial CFD code is used to predict the liquid steel hydrodynamics, whereas a home‐made thermo‐kinetic code adjusts chemical composition with nucleation and diffusion growth, and finally a set of PBE tracks the evolution of inclusion size with emphasis on particle aggregation. Each PBE is solved by QMOM, the first PBE/QMOM system describing the clusters and each remaining PBE/QMOM system being dedicated to the elementary particles of each inclusion species. It is shown how this coupled model can be used to investigate the cluster size and composition of a particular grade of steel (i.e., Fe‐Al‐Ti‐O). © 2010 American Institute of Chemical Engineers AIChE J, 2010     

CFD Simulations of a Bubble Column Operating in the Homogeneous and Heterogeneous Flow Regimes

Bubble columns are operated either in the homogeneous or heterogeneous flow regime. In the homogeneous flow regime, the bubbles are nearly uniform in size and shape. In the heterogeneous flow regime, a distribution of bubble sizes exists. In this paper, a CFD model is developed to describe the hydrodynamics of bubble columns operating in either of the two flow regimes. The heterogeneous flow regime is assumed to consist of two bubble classes: “small” and “large” bubbles. For the air‐water system, appropriate drag relations are suggested for these two bubble classes. Interactions between both bubble populations and the liquid are taken into account in terms of momentum exchange, or drag‐, coefficients, which differ for the “small” and “large” bubbles. Direct interactions between the large and small bubble phases are ignored. The turbulence in the liquid phase is described using the k‐ϵ model. For a 0.1 m diameter column operating with the air‐water system, CFD simulations have been carried out for superficial gas velocities, U, in the range 0.006–0.08 m/s, spanning both regimes. These simulations reveal some of the characteristic features of homogeneous and heterogeneous flow regimes, and of regime transition.     

Numerical Simulation of Dispersed Gas/Liquid Flows in Bubble Columns at High Phase Fractions using OpenFOAM®. Part II – Numerical Simulations and Results

The design of industrial gas/liquid reactors such as bubble columns requires detailed information with respect to the flow structure and characteristics of two‐ or multiphase systems in the reactor. The contribution is focused on the evaluation of the simulation results obtained by model selection. The results are further compared with those reported in literature. The simulation has been performed with the CFD software OpenFOAM®. The main focus of the numerical simulation was set on capturing the characteristic process and design parameters of bubble columns.     

Numerical simulations of gas-liquid mass transfer in bubble columns with a CFD-PBM coupled model

Gas-liquid mass transfer in a bubble column in both the homogeneous and heterogeneous flow regimes was studied by numerical simulations with a CFD-PBM (computation fluid dynamics-population balance model) coupled model and a gas-liquid mass transfer model. In the CFD-PBM coupled model, the gas-liquid interfacial area a is calculated from the gas holdup and bubble size distribution. In this work, multiple mechanisms for bubble coalescence, including coalescence due to turbulent eddies, different bubble rise velocities and bubble wake entrainment, and for bubble breakup due to eddy collision and instability of large bubbles were considered. Previous studies show that these considerations are crucial for proper predictions of both the homogenous and the heterogeneous flow regimes. Many parameters may affect the mass transfer coefficient, including the bubble size distribution, bubble slip velocity, turbulent energy dissipation rate and bubble coalescence and breakup. These complex factors were quantitatively counted in the CFD-PBM coupled model. For the mass transfer coefficient k_l, two typical models were compared, namely the eddy cell model in which k_l depends on the turbulent energy dissipation rate, and the slip penetration model in which k_l depends on the bubble size and bubble slip velocity. Reasonable predictions of k_la were obtained with both models in a wide range of superficial gas velocity, with only a slight modification of the model constants. The simulation results show that CFD-PBM coupled model is an efficient method for predicting the hydrodynamics, bubble size distribution, interfacial area and gas-liquid mass transfer rate in a bubble column.     

Experimental and modelling study of gas dispersion in a double turbine stirred tank

Gas dispersion in a double turbine stirred tank is experimentally characterised by measuring local gas holdups and local bubble size distributions throughout the tank, for three liquid media: tap water, aqueous sulphate solution and aqueous sulphate solution with PEG. For all these media, bubble coalescence generally prevails over breakage. Where average bubble size decreases, this can be attributed to the difference in slip velocity between different sized bubbles. Most of the coalescence takes place in the turbine discharge stream.A compartment model that takes into account the combined effect of bubble coalescence and breakage is used to simulate gas dispersion. The model predicts spatial distribution of gas holdup and of average bubble size, with average bubble size at the turbines as an input. Reasonable agreement between experiment and simulation is achieved with optimisation of two parameters, one affecting mainly the slip velocity, the other related mainly to the bubble coalescence/breakage balance. Different sets of parameters are required for each of the three liquid systems under study, but are independent of stirring/aeration conditions. The model only fails to simulate the smaller average bubble diameters at the bottom of the tank.     

CFD simulation of gas–liquid flow in a high-pressure bubble column with a modified population balance model

In this study, based on the Luo bubble coalescence model, a model correction factor C_e for pressures according to the literature experimental results was introduced in the bubble coalescence efficiency term. Then, a coupled modified population balance model (PBM) with computational fluid dynamics (CFD) was used to simulate a high-pressure bubble column. The simulation results with and without C_e were compared with the experimental data. The modified CFD-PBM coupled model was used to investigate its applicability to broader experimental conditions. These results showed that the modified CFD-PBM coupled model can predict the hydrodynamic behaviors under various operating conditions.     

Gas-liquid flow and bubble size distribution in stirred tanks

This work is aimed at investigating the turbulent two-phase flow and the bubble size distribution (BSD) in aerated stirred tanks by experiments and computational fluid dynamics (CFD) modelling. The experimental data were collected using a two-phase particle image velocimetry technique and a digital image processing method based on a threshold criterion. With the former technique, the liquid and the gas phase ensemble-averaged mean and r.m.s. velocities are measured simultaneously, while with the latter the dimensions of the bubbles dispersed inside the liquid are evaluated. On the modelling side, a CFD approach, based on the solution of Reynolds average Navier-Stokes equations in an Eulerian framework for both phases, is adopted. As for the bubble dimensions modelling, besides the mono-dispersed assumption, a population balance method, named MUSIG, with bubble break-up and coalescence models is considered. The BSD and the axial and radial velocity of the gas and the liquid phase are presented and discussed. The outcomes of the computational work are evaluated on the basis of the experimental results.     

CFD-PBE simulation of a bubble column in OpenFOAM

A general CFD-PBE (computational fluid dynamics-population balance equation) solver for gas–liquid poly-dispersed flows of both low and high gas volume fractions is developed in OpenFOAM (open-source field operation and manipulation) in this work. Implementation of this solver in OpenFOAM is illustrated in detail. The PBE is solved with the cell average technique. The coupling between pressure and velocity is dealt with the transient PIMPLE algorithm, which is a merged PISO-SIMPLE (pressure implicit split operator-semi-implicit method for pressure-linked equations) algorithm. Results show generally good agreement with the published experimental data, whereas the modeling precision could be improved further with more sophisticated closure models for interfacial forces, the models for the bubble-induced turbulence and those for bubble coalescence and breakage. The results also indicate that the PBE could be solved out the PIMPLE loop to save much computation time while still preserving the time information on variables. This is important for CFD-PBE modeling of many actual gas–liquid problems, which are commonly high-turbulent flows with intrinsic transient and 3D characteristics.     

Study on gas-liquid flow characteristics in stirred tank with dual-impeller based on CFD-PBM coupled model

Study on gas-liquid flow in stirred tank with two combinations of dual-impeller (six-bent-bladed turbine(6BT)+six-inclined-blade down-pumping turbine (6ITD),the six-bent-bladed turbine (6BT)+six-inclined-blade up-pumping turbine (6ITU)) was conducted using computational fluid dynamics (CFD) and popula-tion balance model (PBM) (CFD-PBM) coupled model.The local bubble size was captured by particle image velocimetry (PIV) measurement.The gas holdup,bubble size distribution and gas-liquid interfacial area were explored at different conditions through numerical simulation.The results showed that the 4 mm bubbles accounted for the largest proportion of 33％ at the gas flow rates Q =0.76 m3·h-1 and 22％ at Q =1.52 m3·h-1 for combined impeller of 6BT + 6ITU,while the bubbles of 4.7 mm and 5.5 mm were the largest proportion for 6BT + 6ITD combination,i.e.25％ at Q =0.76 m3·h-1 and 22％ at Q =1.52 m3·h-1,respectively,which indicated that 6BT + 6ITU could reduce bubble size effectively and promote gas dispersion.In addition,the gas holdup around impellers was increased obviously with the speed compared with gas flow rate.So it was concluded that 6ITU impeller could be more conductive to the bubble dispersion with more uniform bubble size,which embodied the advantages of 6BT + 6ITU combination in gas-liquid mixing.     

Hydrodynamics and simulation of air–water homogeneous bubble column under elevated pressure

A gas–liquid Eulerian computational fluid dynamics (CFD) model coupled with a population balance equation (PBE) was presented to investigate hydrodynamics of an air–water bubble column (1.8 m in height and 0.1 m in inner diameter) under elevated pressure in terms of pressure drop, gas holdup, mean bubble size, and bubble surface area. The CFD-PBE model was modified with three pressure correction factors to predict both the total gas holdup and the mean bubble size in the homogeneous bubbly flow regime. The three correction factors were optimized compared to experimental data. Increasing the pressure led to increasing the density, reducing the bubble size, and increasing the gas holdup. The bubble size distribution moved toward a smaller bubble size, as the pressure increased. The modified CFD-PBE model validated with experimental data and empirical models represented well hydrodynamics of the bubble column at P = 0.1, 1.5, and 3.5 MPa.     

CFD‐DEM Model for Simulating Solid Exchange in a Dual‐Leg Fluidized Bed

The domain coverage method (DCM) is proposed to establish a computational fluid dynamics‐discrete element method (CFD‐DEM) model based on irregular mesh. The gas field was solved by Fluent software and the DEM model was coupled with Fluent software by user‐defined functions. Gas turbulent viscosity was calculated by the coupled k‐? two‐equation model and the soft‐sphere collision model was used to get particle contact force. The CFD‐DEM model based on irregular mesh was firstly verified to be reasonable by comparing the simulated injected bubble with that simulated by Bokkers et al. The solid exchange behavior was studied numerically in a 2D dual‐leg fluidized bed (DL‐FB). The simulation results were compared with experimental results and proved that the CFD‐DEM model is established successfully based on the efficient DCM. The DEM model is expanded to be used on irregular mesh in fluidized beds with complex geometries.     

Gekoppeltes Berechnen von Blasengrößenverteilungen und Strömungsfeldern in Blasensäulen

Coupled Calculation of Bubble Size Distribution and Flow Fields in Bubble Columns In this paper the use of computational fluid dynamics (CFD) for the calculation of flow fields in bubble columns is explained. The local bubble size distribution is considered with the aid of a simplified balance equation for the average bubble volume in bubbly flow. Models are developed for the rate of bubble break‐up and coalescence based on physical principals. The flow fields in cylindrical bubble columns without internals are calculated using the Euler‐Euler method. The small and large bubble fraction are considered as pseudo‐continuous phases in addition to the liquid phase. The calculated flow fields are characterised by several large scale vortices. The local volume fractions of gas and liquid are very inhomogeneous and highly time dependent. The calculated volume fractions, velocities and bubble size distributions agree well with experimental results for bubble columns up to 0.3 m in diameter.