CFD Modeling of Bubble Column Reactor Including the Influence of Gas Contraction

In this paper a CFD model for a bubble column reactor undergoing a first order reaction A → B is developed. The reactor operates in the homogeneous bubbly regime and has a diameter D_T = 1 m and height H_T = 5 m. The incoming gas stream contains inerts, varying in proportion from 10 % to 90 %. Three‐dimensional transient Eulerian simulations were carried out for an inlet superficial gas velocity U_G = 0.04 m/s. Due to the consumption of A, the gas phase suffers contraction along the height of the reactor and as a consequence there is a significant change in the gas velocity along the column height; this variation in gas velocity is stronger when the incoming gas contains a smaller proportion of inerts. The CFD simulations show that there is a considerable influence of gas contraction on both the bubble column hydrodynamics and on the reactor conversion. None of the conventionally used reactor models is capable of describing the reactor performance in the case of high gas phase contraction.     

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.     

Studies of Gas Holdup in Bubble Column Reactors

Gas holdup in bubble columns has been investigated over a wide range of operational and geometrical parameters. A criterion has been developed for the prediction of the transitional velocity from the homogeneous to heterogeneous flow regime. Correlations for gas holdup in both regimes are developed and verified against experimental data.     

Bubble Behavior of a Large‐Scale Bubble Column with Elevated Pressure

Gas holdups and the rising velocity of large and small bubbles are measured using the dynamic gas disengagement approach in a pressured bubble column of 0.3 m in diameter and 6.6 m in height. The effects of superficial gas velocity, liquid surface tension, liquid viscosity, and system pressure on the gas holdups and the rising velocity of small and large bubbles are investigated. The holdup of large bubbles and the rising velocity of small bubbles increase with increasing liquid viscosity and liquid surface tension. Meanwhile, the holdup of small bubbles and the rising velocity of a swarm of large bubbles decrease. Moreover, the holdup of large bubbles and the rising velocity of a swarm of small bubbles decrease with increasing system pressure. A correlation for the holdup of small bubbles is obtained from experimental data.     

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.     

Modeling of Multistage Bubble Column Reactors for Oxidation Reaction

In this work, a mathematical model based on axial dispersion has been suggested to simulate the behavior of a multistage bubble column reactor. A six‐stage pilot‐scale reactor with an inner diameter of 0.35 m and a height of 12 m was used for hydrogen peroxide production through the direct oxidation of isopropyl alcohol at isothermal condition. Steady‐state and dynamic simulations were performed to predict the concentration of all the reactants in gas and liquid phases. It was observed that for steady state‐conditions the simulation results were consistent with the experimental results. Dynamic models involving liquid back‐mixing can be used for the simulation of start‐up, shut‐down or transition operations in this kind of a rector.     

Measurement of Local Phase Holdups in a Two‐ and Three‐Phase Bubble Column

A new invasive sensing probe for the measurement of local phase holdups in two‐ and three‐phase reactors is described. The local gas and solids holdups in a bubble column with a volume of V = 2 m³ at varying operating conditions (gas velocity, sparger design, solids content and density) are measured by means of differential pressure measurement in combination with either time domain reflectometry or electrical conductivity measurement. The phase distribution profiles at two‐ and three‐phase operating conditions are described. The influence of the sparger design on the shape of these profiles, the influence of the solid phase on the gas distribution, the solids distribution and the gas‐stow effect above the sparger because of a dense particle layer are capable of experimental proof for the first time.     

One‐Dimensional Modeling and Simulation of Bubble Column Reactors

Reactor models that feature a practical way to design bubble columns on the semi‐industrial or even industrial scale have been published only rarely in the usual scientific literature. Creating a one‐dimensional model in the equation‐oriented simulation software ASPEN Custom Modeler? (ACM), one can reach a compromise between model precision and modeling – i.e. computational power – based on correlations selected specifically for the application in question. The model quantitatively describes, with sufficient accuracy, the processes in a bubble column reactor. The paper discusses investigations for designing a pilot plant reactor for hydrogenating 2‐ethylhexanal as an example of its application. Geometry and operating conditions were optimized, and the results are shown in the form of spatially resolved reaction and temperature profiles.     

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.     

Large Bubble Sizes and Rise Velocities in a Bubble Column Slurry Reactor

The results are reported of an experimental study of the gas holdup, ?_G, large bubble diameter, d_Lb, and large bubble rise velocity, V_Lb, in a 0.1 m wide, 0.02 m deep and 0.95 m high rectangular slurry bubble column operated at ambient temperature and pressure conditions. The superficial gas velocity U was varied in the range of 0–0.2 m/s, spanning both the homogeneous and heterogeneous flow regimes. Air was used as the gas phase. The liquid phase used was C₉‐C₁₁ paraffin oil containing varying volume fractions (?_S = 0, 0.05, 0.10, 0.15, 0.20 and 0.25) of porous catalyst (alumina catalyst support, 10 % < 10 μm; 50 % < 16 μm; 90 % < 39 μm). With increasing slurry concentrations, ?_G is significantly reduced due to enhanced bubble coalescence and for high slurry concentrations the “small” bubbles are significantly reduced in number. By the use of video imaging techniques, it was shown that the large bubble diameter is practically independent of the gas velocity for ?_S > 0.05 and U > 0.1 m/s. The measured large bubble rise velocity V_Lb agrees with the predictions of a modified Davis‐Taylor relationship.     

Gas Holdup and Volumetric Mass Transfer Coefficient in a Slurry Bubble Column

The gas holdup, ?, and volumetric mass transfer coefficient, k_La, were measured in a 0.051 m diameter glass column with ethanol as the liquid phase and cobalt catalyst as the solid phase in concentrations of 1.0 and 3.8 vol.‐%. The superficial gas velocity U was varied in the range from 0 to 0.11 m/s, spanning both the homogeneous and heterogeneous flow regimes. Experimental results show that increasing catalyst concentration decreases the gas holdup to a significant extent. The volumetric mass transfer coefficient, k_La, closely follows the trend in gas holdup. Above a superficial gas velocity of 0.04 m/s the value of k_La/? was found to be practically independent of slurry concentration and the gas velocity U; the value of this parameter is found to be about 0.45 s^–1. Our studies provide a simple method for the estimation of k_La in industrial‐size bubble column slurry reactors.     

Gas‐Liquid Mass Transfer in a Slurry Bubble Column at High Slurry Concentrations and High Gas Velocities

The volumetric mass transfer coefficient k_La in a 0.1 m‐diameter bubble column was studied for an air‐slurry system. A C₉‐C₁₁ n‐paraffin oil was employed as the liquid phase with fine alumina catalyst carrier particles used as the solid phase. The n‐paraffin oil had properties similar to those of the liquid phase in a commercial Fischer‐Tropsch reactor under reaction conditions. The superficial gas velocity U_G was varied in the range of 0.01 to 0.8 m/s, spanning both the homogeneous and heterogeneous flow regimes. The slurry concentration ?_S ranged from 0 to 0.5. The experimental results obtained show that the gas hold‐up ?_G decreases with an increase in slurry concentration, with this decrease being most significant when ?_S < 0.2. k_La/?_G was found to be practically independent of the superficial gas velocity when U_G > 0.1 m/s is taking on values predominantly between 0.4 and 0.6 s^–1 when ?_S = 0.1 to 0.4, and 0.29 s^–1, when ?_S = 0.5. This study provides a practical means for estimating the volumetric mass transfer coefficient k_La in an industrial‐size bubble column slurry reactor, with a particular focus on the Fischer‐Tropsch process as well as high gas velocities and high slurry concentrations.     

Operating Characteristics and Performance of a Monolithic Downflow Bubble Column Reactor in Selective Hydrogenation of Butyne‐1,4‐diol

The effects of flow condition, bubble dispersion level, and liquid flow rate on the behavior of a novel monolithic downflow bubble column (M‐DBC) were investigated using a reaction model, the palladium‐catalyzed hydrogenation of butyne‐1,4‐diol. The stable and closely packed homogeneous bubble dispersion present in the bulk region of the M‐DBC allowed effective introduction of the gas‐liquid phase for formation of Taylor flow inside the monolith channels. The condition defined as the minimum level dispersion was required in order to obtain high selectivity towards the intermediate product, cis‐2‐butene‐1,4‐diol. Enhanced reaction rates were obtained at increasing the dispersion level and lowering the liquid flow rate. Comparison with the DBC employing 5 % Pd/C powder catalyst and 1 % Pd‐on‐Raschig‐ring revealed a better performance of the M‐DBC (1 % Pd loading) with the advantage of smaller reaction volume and intensified reaction rate. As an alternative to conventional three‐phase reactors, the M‐DBC was so simple due to its inherent characteristic operation and no specially designed device is required.     

Use of Neural Network–Ultrasonic Technique for Measuring Gas and Solid Hold‐ups in a Slurry Bubble Column Bubble Colum

A novel technique for measuring simultaneously the gas and solid hold‐ups in a slurry bubble column using a combination of neural network–ultrasonic method was investigated in this study. A one‐dimensional model using the basic parameters of ultrasound (the energy attenuation and the velocity change in terms of the transmission time difference) for measuring the gas and the solid hold‐ups has been proposed to show the complexity of the system. The three layers feed‐forward neural network (3‐FFNN) structure has been used to try and solve the nonlinear relationship between parameter sensing and measurement purpose. An adequate selection of the neural network structure has been chosen to perform the relationship between the measurement sensing (input of the network) and the measurement purpose (output of the network). Preliminary representation results of the gas and the solid hold‐ups using the proposed method compare relatively well with measured data.     

Design of Sieve Plate Spargers for Bubble Columns: Role of Weeping

Weeping through perforated plates occurs when the pressure drop of the gas/vapor passing through it is insufficient to support the liquid. The critical weep velocities (V_{O, crit}) were measured for the plates having hole diameter range of 1 to 6mm. The thickness to hole diameter ratio (t/d_O) and the pitch to hole diameter ratio (P/d_O) were varied in the range of 1 to 6 and 3.9 to 25.8, respectively. It was found that the V_{O, crit} is a strong function of plate parameters and the clear liquid height. A mathematical model for “No weep” condition was developed under the following two extreme conditions: (i) holes are partially open, (ii) holes are completely active. The results obtained from the experimentation and the mathematical correlation were put into a coherent form. The weeping criterion in terms of the Froude number was correlated with the plate parameters and the clear liquid height.     

Comparison of Hydrodynamics and Mass Transfer in Airlift and Bubble Column Reactors Using CFD

Computational Fluid Dynamics (CFD) is used to compare the hydrodynamics and mass transfer of an internal airlift reactor with that of a bubble column reactor, operating with an air/water system in the homogeneous bubble flow regime. The liquid circulation velocities are significantly higher in the airlift configuration than in bubble columns, leading to significantly lower gas holdups. Within the riser of the airlift, the gas and liquid phases are virtually in plug flow, whereas in bubble columns the gas and liquid phases follow parabolic velocity distributions. When compared at the same superficial gas velocity, the volumetric mass transfer coefficient, k_La, for an airlift is significantly lower than that for a bubble column. However, when the results are compared at the same values of gas holdup, the values of k_La are practically identical.     

Studies on the Hydrodynamics of Chaotic Bubbling in a Gas‐Liquid Bubble Column with a Single Nozzle

In this work, the chaotic bubbling mechanism in a gas‐liquid bubble column with a single nozzle was investigated. The signal for the analysis was the time series of pressure fluctuations measured from a pressure transducer probe placed in the bubble column close to the nozzle. In order to study the bubbling process, statistical analysis, qualitative and quantitative nonlinear analyses were carried out for the pressure fluctuations. Power spectra used as standard statistical measures provided preliminary evidence that bubbling in the middle values of gas flow rates may be chaotic in nature. Phase plots provided a qualitative means of analyzing the fine geometry structure of the attractor reconstructed from the bubbling time signal. Positive finite estimates of the Kolmogorov entropy provided a quantitative evidence of behavior consistent with chaos. Besides previous diagnostic tools, the local nonlinear short‐term prediction was also used as a supplement method. It was found that the bubbling process exhibits a deterministic chaotic behavior in a certain range of the gas flow rate. When increasing the gas flow rate, the sequence of periodic bubbling, primary and advanced chaotic bubbling, and jetting or random bubbling were successively observed. However, no clear period doubling sequence leading to chaotic behavior was observed. The sharp loss of the ability to predict the pressure signal successfully with the nonlinear prediction method provides the strongest evidence of the presence of the chaotic bubbling. The variations of the nonlinear invariants, such as the Kolmogorov entropy and the correlation dimension together with the plot of the correlation integral with the operation conditions, might be developed as potential and effective quantitative tools for flow regime identification of the bubbling process.     

Development of a CFD Model of Bubble Column Bioreactors: Part One – A Detailed Experimental Study

The holdup and bubble size distribution (BSD) in bubble columns using both air/water and an industrially relevant air/fermentation media system are investigated. It was found that the BSD in the air/fermentation media system was quite narrow and did not change with height. In contrast, the BSD in the air/water system varied considerably with height depending on the sparger design used. Holdup measurements were also performed for different superficial velocities. The holdup in the air/fermentation media system was greater than that for the air/water system, a result attributed to the presence of surface‐active compounds in the fermentation media.