CFD simulation of hydrodynamics of gas-liquid-solid fluidised bed reactor

A three dimensional transient model is developed to simulate the local hydrodynamics of a gas-liquid-solid three-phase fluidised bed reactor using the computational fluid dynamics (CFD) method. The CFD simulation predictions are compared with the experimental data of Kiared et al. [1999. Mean and turbulent particle velocity in the fully developed region of a three-phase fluidized bed. Chemical Engineering & Technology 22, 683-689] for solid phase hydrodynamics in terms of mean and turbulent velocities and with the results of Yu and Kim [1988. Bubble characteristics in the racial direction of three-phase fludised beds. A.I.Ch.E. Journal 34, 2069-2072; 2001. Bubble-wake model for radial velocity profiles of liquid and solid phases in three-phase fluidised beds. Industrial and Engineering Chemistry Research 40, 4463-4469] for the gas and liquid phase hydrodynamics in terms of phase velocities and holdup. The flow field predicted by CFD simulation shows a good agreement with the experimental data. From the validated CFD model, the computation of the solid mass balance and various energy flows in fluidised bed reactors are carried out. The influence of different interphase drag models for gas-liquid interaction on gas holdup are studied in this work.     

CFD modelling of the hydrodynamics and kinetic reactions in a fluidised-bed MTO reactor

This study presents a computational investigation of the hydrodynamics and kinetic reactions in a fluidised-bed MTO reactor. By integrating a kinetic model of methanol conversion with a two-fluid flow model, a gas–solid flow and reaction model was established. CFD analyses were performed, and the influences of various operating parameters were evaluated. The results indicate that the velocity, volume fraction and species concentration were considerably non-uniform in the axial and radial directions of the MTO reactor. Methanol conversion rate and product yields were more sensitive to the reaction temperature and pressure than to the initial methanol content in the feedstock. A gas velocity of 2.5–3.0 m/s and a catalyst circulation rate of 100–120 kg/(m² s) were found to be ideal for the current reactor. Coke deposition significantly affected the methanol conversion rate, product distribution and species selectivity. The ethylene-to-propylene ratio could be adjusted by varying the amount of coke on the catalyst.     

CFD simulation of hydrodynamics of gas–solid multiphase flow in downer reactors: revisited

In the present work, a k₁–ε₁–k₂–k₁₂ two-fluid model based on the kinetic theory of granular flow (KTGF) was employed to predict the flow behavior of gas and solids in downers, where the particles of small size as 70 μm in diameter apparently interact with the gas turbulence. The turbulence energy interaction between gas and solids was described by different k₁₂ transport equations, while the particle dissipation by the large-scale gas turbulent motion was taken into account through a drift velocity. Johnson–Jackson boundary condition was adopted to describe the influence of the wall on the hydrodynamics. The simulation results by current CFD model were compared with the experimental data and simulation results reported by Cheng et al. (1999. Chem. Eng. Sci. 54, 2019) and Zhang and Zhu (1999. Chem. Eng. Sci. 54, 5461). Good agreement was obtained based on the PDE-type k₁₂ transport equation. The results demonstrated that the proposed model could provide good physical understanding on the hydrodynamics of gas–solid multiphase flow in downers. Using the current model, the mechanism for formation and disappearance of the dense-ring flow structure and the scale-up characteristics of downers were discussed.     

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.     

Experimental and numerical investigations of scale-up effects on the hydrodynamics of slurry bubble columns

Experiments and simulations were conducted for bubble columns with diameter of 0.2 m(180 mm i.d.), 0.5 m(476 mm i.d.) and 0.8 m(760 mm i.d.) at high superficial gas velocities(0.12–0.62 m·s-1) and high solid concentrations(0–30 vol%). Radial profiles of time-averaged gas holdup, axial liquid velocity, and turbulent kinetic energy were measured by using in-house developed conductivity probes and Pavlov tubes. Effects of column diameter, superficial gas velocity, and solid concentration were investigated in a wide range of operating conditions. Experimental results indicated that the average gas holdup remarkably increases with superficial gas velocity, and the radial profiles of investigated flow properties become steeper at high superficial gas velocities. The axial liquid velocities significantly increase with the growth of the column size, whereas the gas holdup was slightly affected. The presence of solid in bubble columns would inhibit the breakage of bubbles, which results in an increase in bubble rise velocity and a decrease in gas holdup, but time-averaged axial liquid velocities remain almost the same as that of the hollow column. Furthermore, a 2-D axisymmetric k–ε model was used to simulate heterogeneous bubbly flow using commercial code FLUENT 6.2. The lateral lift force and the turbulent diffusion force were introduced for the determination of gas holdup profiles and the effects of solid concentration were considered as the variation of average bubble diameter in the model. Results predicted by the CFD simulation showed good agreement with experimental data.     

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.     

CFD Studies of Pressure Drop and Increasing Capacity in MellapakPlus 752.Y Structured Packing

Packed columns equipped with structured packings are widely used in separation processes. In this study, the hydrodynamics of MellapakPlus 752.Y was investigated using a computational fluid dynamics (CFD) approach. This packing includes short smooth bends at both ends of each corrugated sheet. Two adjacent sheets of a whole packing module were considered as computational domain. The CFD results indicated that the gas phase should be simulated using a turbulent model for F factors higher than 0.8. Thus, various two‐equation turbulence models were evaluated for the gas phase in the CFD model. It was shown that the baseline k‐ω (BSL) model leads to a slightly improved prediction of the pressure drops compared with the experimental data. The effects of the bends on the structured packing were studied by the model. It was found that using bends in the packings is useful for increasing the capacity and decreasing the pressure drop of the systems.     

On the development of flow pattern in a bubble column reactor: Experiments and CFD

A comprehensive analysis of the development of flow pattern in a bubble column reactor is presented here through extensive LDA measurements and CFD predictions. In the LDA measurements, the simultaneous measurements of 2D velocity-time data were carried out at several radial locations and many axial cross-sections of the column for two different spargers. The profiles of mean axial liquid velocity, fractional gas hold-up and bubble slip velocity showed excellent agreement between the predictions and the experimentally measured values. The experimental results showed that the mean tangential velocity varies systematically in the radial as well as along the axial co-ordinates. The turbulence parameters viz. turbulent kinetic energy, energy dissipation rate and eddy diffusivity were also analysed. The estimated values of local energy dissipation rate obtained using eddy isolation model were used for establishing the energy balance in the column. The experimental data were used for the estimation of normal and shear stress profiles. For the case of single point sparger, just above the sparger region, the bubble plume was seen to have a strong tangential component of motion thereby yielding higher gas hold-up slightly away from the centre. This visual observation was well captured in profiles of all the hydrodynamic parameters obtained from the experimental data. CFD simulations of the mean velocities, gas hold-up and turbulent kinetic energy compared well with the experimental results.     

Multifluid Eulerian modeling of dense gas-solids fluidized bed hydrodynamics: Influence of the dissipation parameters

Computational fluid dynamic (CFD) models must be thoroughly validated before they can be used with confidence for designing fluidized bed reactors. In this study, validation data were collected from a fluidized bed of (Geldart's group B) alumina particles operated at different gas velocities involving two fluidization hydrodynamic regimes (bubbling and slugging). The bed expansion, height of bed fluctuations and frequency of fluctuations were measured from videos of the fluidized bed. The Eulerian-Eulerian two fluid model MFIX was used to simulate the experiments. Two different models for the particle stresses—Schaeffer [Syamlal, M., Rogers, W., O’Brien, T.J., 1993. MFIX documentation: theory guide. Technical Report DOE/METC-94/1004 (DE9400087), Morgantown Energy Technology Centre, Morgantown, West Virginia (can be downloaded from Multiphase Flow with Interphase eXchanges (MFIX) website 〈http://www.mfix.org〉); Schaeffer, D.G., 1987. Instability in the evolution equations describing incompressible granular flow. Journal of Differential Equations 66, 61-74.] and Princeton [Srivastava, A., Sundaresan, S., 2003. Analysis of a frictional-kinetic model for gas-particle flow. Powder Technology 129(1-3), 72-85.] models—and different values of the restitution coefficient and internal angle of friction were evaluated. 3-D simulations are required for getting quantitative and qualitative agreement with experimental data. The results from the Princeton model are in better agreement with data than that from the Schaeffer model. Both free slip and Johnson-Jackson boundary conditions give nearly identical results. An increase in coefficient of restitution (e) from 0.8 to 1 leads to larger bed expansions and lower heights of fluctuations in the bubbling regime, whereas it leads to unchanged bed expansion and to a massive reduction in the height of fluctuations in the slugging regime. The angle of internal friction (φ) in the range 10-40^° does not affect the bed expansion, but its reduction significantly reduces the height of fluctuations.     

CFD study and experimental validation of multiphase packed bed hydrodynamics in the context of Rolling Sea conditions

The necessity for a validated computational fluid dynamics (CFD)-based model to deepen our understanding about the complex hydrodynamics of gas–liquid flows in oscillating porous media has driven this experimental and simulation work. A transient three-dimensional Euler–Euler porous media CFD model using moving reference frame and sliding mesh techniques was applied to elucidate the dynamic features of gas–liquid flows of cocurrent downflow packed beds subject to tilts and oscillations reminiscent of sea conditions. Incorporation of capillary and mechanical dispersion forces besides interphase momentum exchange terms in the CFD model to achieve reliable predictions was evaluated with respect to experimental data acquired by capacitance wire-mesh sensors and differential pressure transmitter. In the light of the validated CFD model, a detailed sensitivity analysis was performed to address the interrelations between hydrodynamic parameters, influence of fluid properties and packing size on the model predictions, and additional contribution of column oscillations on multiphase dynamics. © 2018 American Institute of Chemical Engineers AIChE J, 65: 385–397, 2019     

Investigations on hydrodynamics and mass transfer in gas–liquid stirred reactor using computational fluid dynamics

In this work, the hydrodynamics and mass transfer in a gas–liquid dual turbine stirred tank reactor are investigated using multiphase computational fluid dynamics coupled with population balance method (CFD–PBM). A steady state method of multiple frame of reference (MFR) approach is used to model the impeller and tank regions. The population balance for bubbles is considered using both homogeneous and inhomogeneous polydispersed flow (MUSIG) equations to account for bubble size distribution due to breakup and coalescence of bubbles. The gas–liquid mass transfer is implemented simultaneously along with the hydrodynamic simulation and the mass transfer coefficient is obtained theoretically using the equation based on the various approaches like penetration theory, slip velocity, eddy cell model and rigid based model. The CFD model predictions of local hydrodynamic parameters such as gas holdup, Sauter mean bubble diameter and interfacial area as well as averaged quantities of hydrodynamic and mass transfer parameters for different mass transfer theoretical models are compared with the reported experimental data of [Alves et al., 2002a] and [Alves et al., 2002b] . The predicted hydrodynamic and mass transfer parameters are in reasonable agreement with the experimental data.     

Effects of the Inlet Section Angle on the Flow Field of a Cyclone

The gas flow fields of a cyclone with different inlet section angles have been studied numerically. The gas flow fields were simulated by means of the Reynolds Stress Transport Model (RSTM). The velocities and pressure drop profiles of these cyclones were investigated. The shortcut flow rates at the bottom of the vortex finder were calculated with different inlet section angles. To analyze the relationship between the inlet section angle and the vortex finder insertion deepness, this paper details the shortcut flow rates at the bottom of the vortex finder for three vortex finder insertion depths. The results indicate that the inlet section angle can decrease the shortcut flow from the bottom of the vortex finder, which has practical importance for the improvement of the separation efficiency. The inlet section angle can also decrease the pressure coefficient of a cyclone. When the inlet section angle is 45 °, the level of decrease is up to 30 %. However, the effect of the inlet section angle on the separation performance is related to the dimension of the vortex finder, i.e., the insertion depth and diameter of the vortex finder, and the effect is different when the cyclone has different vortex finder insertion depths.     

A two-phase Eulerian approach using relative permeability concept for modeling of hydrodynamics in trickle-bed reactors at elevated pressure

Most commercial trickle-bed reactors (TBRs) employed in hydroprocessing and other industrially relevant operations normally operate at elevated pressures. Two-phase pressure drop and liquid holdup are two foremost important hydrodynamic parameters to consider for analysis and design of a TBR, including those operating at higher pressures. Even after several decades of research efforts directed towards the development of TBR technology, know-how about the hydrodynamics of two-phase flow in a TBR especially operating at high-pressure conditions has been inadequate. In this study, an effort has been made to assess the complex hydrodynamics of high-pressure TBR through the development of a Computational Fluid Dynamics (CFD) based model to predict pressure drop and liquid saturation. A two-phase Eulerian CFD model envisaging the flow field as porous region has been utilized for evaluating these hydrodynamic parameters. Different combinations of relative permeability correlations in the closure terms have been exercised to realize the best fit. The comparisons between model predictions and numerous experimental data, collected from different independent sources under a varied set of operating conditions, lead to the favourable implementation of this less computationally intensive, yet first-principle based CFD model to forecast the two-phase hydrodynamics for high-pressure TBRs.     

Hydrodynamics and scale-up of liquid-solid circulating fluidized beds: Similitude method vs. CFD

Hydrodynamics and scale-up of liquid-solid circulating fluidized beds (LSCFBs) are investigated using similitude method and computational fluid dynamics (CFD) technique. Similitude method is applied to establish the dynamic similarity among LSCFBs by tuning physical properties of liquids and solids, operating conditions and bed dimensions to match several scaling sets of dimensionless groups. The hydrodynamic behaviors in these constructed LSCFBs are simulated by a validated CFD model [Cheng, Y., Zhu, J., 2005. CFD modeling and simulation of hydrodynamics in liquid-solid circulating fluidized beds. Canadian Journal of Chemical Engineering 83, 177-185] and compared in terms of the axial and radial flow structures characterized by the solids fraction, particle and liquid velocities and solids mass flux. The results demonstrate that only the full set scaling parameters obtained from similitude method, i.e., five dimensionless groups together with fixed bed geometry, particle sphericity, particle size distribution as well as particle collision properties, can ensure the similarity of hydrodynamics in the fully developed region of different LSCFBs. Developing flow structures in LSCFBs are strongly influenced by some parameters such as turbulent kinetic energy at the inlet so that the proposed similitude method may not always be applicable.     

Effect of nozzle diameter and its orientation on the flow pattern and plume dimensions in gas-liquid jet reactors

Gas-liquid jet reactors are widely used in chemical industries in various applications such as feed-water heaters, metal processing, and thermal energy sources, etc. In all these applications, the principal requirement for the design is a prior knowledge of jet shape and dimensions, which primarily depend upon the nozzle type, size, submergence and its orientation. In the present study, CFD simulations of non-reacting (steam-water) and reacting (SF₆-Li) jets have been carried out to understand the variation in plume dimensions of gas-liquid jet reactors. For condensation jet and reaction jet, the criteria have been developed to identify the plume boundary based on the hold-up profile of steam/SF₆ gas and the evaporated fuel. The effect of nozzle diameter and its orientation, nozzle gas velocity and bath temperature on the plume dimensions have been studied for both the types of jets. It was observed that the extent of increase in the plume length is always higher in the case of reaction jet as compared to the condensation jet for all the cases. The analyses also proved that, the availability of reactant is much better with the horizontal orientation which leads to stable plume length. The CFD model has been extended for the prediction of the flow pattern and its effect on the rate of condensation/reaction and plume dimensions for both the jet systems.     

CFD simulation and experimental measurement of gas holdup and liquid interstitial velocity in internal loop airlift reactor

This paper documents experiments and CFD simulations of the hydrodynamics of our two-phase (water, air) laboratory internal loop airlift reactor (40 l). The experiments and simulations were aimed at obtaining global flow characteristics (gas holdup and liquid interstitial velocity in the riser and in the downcomer) in our particular airlift configurations. The experiments and simulations were done for three different riser tubes with variable length and diameter. Gas (air) superficial velocities in riser were in range from 1 to 7.5 cm/s. Up to three circulation regimes were experimentally observed (no bubbles in downcomer, bubbles in downcomer but not circulating, and finally the circulating regime). The primary goal was to test our CFD simulation setup using only standard closures for interphase forces and turbulence, and assuming constant bubble size is able to capture global characteristics of the flow for our experimental airlift configurations for the three circulation regimes, and if the simulation setup could be later used for obtaining the global characteristic for modified geometries of our original airlift design or for different fluids. The CFD simulations were done in commercial code Fluent 6.3 using algebraic slip mixture multiphase model. The secondary goal was to test the sensitivity of the simulation results to different closures for the drag coefficient and the resulting bubble slip velocity and also for the turbulence. In addition to the simulations done in Fluent, simulation results using different code (CFX 12.1) and different model (full Euler–Euler) are also presented in this paper. The experimental measurements of liquid interstitial velocity in the riser and in the downcomer were done by evaluating the response to the injection of a sulphuric acid solution measured with pH probes. The gas holdup in the riser and downcomer was measured with the U-tube manometer. The results showed that the simulation setup works quite well when there are no bubbles present in the downcomer, and that the sensitivity to the drag closure is rather low in this case. The agreement was getting worse with the increase of gas holdup in the downcomer. The use of different multiphase model in the different code (CFX) gave almost the same results as the Fluent simulations.     

Multi-scale analysis of gas–liquid interaction and CFD simulation of gas–liquid flow in bubble columns

The ratio of effective drag coefficient to bubble diameter is of critical importance for CFD simulation of gas–liquid flow in bubble columns. In this study, a novel model is proposed to calculate the ratio on the basis of the Dual-Bubble-Size (DBS) model. The motivation of the study is that a stability condition reflecting the compromise between different dominant mechanisms can serve for a closure in addition to mass and momentum conservative constraints, and the interphase momentum transfer should be related to different paths of energy dissipation. With the DBS model, we can first offer a physical interpretation on macro-scale regime transition via the shift of global minimum point of micro-scale energy dissipation from one potential trough to the other. Then the proposed drag model is integrated into a CFD simulation. Prior to this integration, we investigate the respective effects of bubble diameter and correction factor and found that the effect of bubble diameter is limited, whereas the correction factor due to the bubble swarm effect is eminent and appropriate correction factor has to be selected for different correlations of standard drag efficient to be in accord with experiments. By contrast, the DBS drag model can well predict the radial gas holdup distribution, the total gas holdup as well as the two-phase flow field without the need to adjust model parameters, showing its great potential and advantage in understanding the complex nature of multi-scale structure of gas–liquid flow in bubble columns.     

Influence of different nanoparticles on the gas injection performance in EOR operation: Parametric and CFD simulation study

This study aims to simulate the process of enhanced oil recovery (EOR) during gas injection along with nanoparticles and investigate the affecting parameters in a conventional carbonate oil reservoir. Ansys Fluent software with a suitable multiphase model was used to simulate natural gas injection with a nanoparticle into a core sample. The simulation model was validated with a laboratory test of natural gas injection. Then, to obtain the optimal values of each of the parameters affecting the process of EOR during the natural gas injection along with nanoparticles, the design of the experiment was carried out with the help of Qualitek-4 software and the Taguchi method. Therefore, three factors, including nanoparticle type (clay, titanium oxide, and silica nanoparticles), nanoparticle diameter (2–50 nm), and the volume fraction of nanoparticles in the base fluid (0.5–5 vol.%), as influential factors on the EOR during natural gas injection along with nanoparticles were chosen. The results of the numerical study indicated that silica nanoparticles significantly affect EOR more than clay and titanium oxide nanoparticles. Moreover, the smaller the diameter of nanoparticles (close to 2 nm) and the more significant the volume fraction of nanoparticles in the base fluid (close to 5 vol.%), the higher the oil recovery factor will be. This phenomenon occurs due to changes in the density and viscosity of the base fluid and, consequently, improves the mobility ratio of the injected fluid. On the other hand, the tiny size of nanoparticles allows them to easily enter the pores of the reservoir rock without entrapping and producing oil from them. Eventually, the highest oil recovery factor (59%) was obtained using silica nanoparticles with a diameter of 2 nm and a volume fraction of 5 vol.% in natural gas injection.