CFD simulation of liquid-phase mixing in solid-liquid stirred reactor

A comprehensive CFD model was developed to gain an insight into solid suspension and its implications on the liquid-phase mixing process in a solid-liquid stirred reactor. The turbulent solid-liquid flow in a stirred reactor was simulated using a two-fluid model with the standard k-ε turbulence model with mixture properties. The multiple reference frames (MRFs) approach was used to simulate impeller rotation in a fully baffled reactor. The computational model with necessary sub-models was mapped on to a commercial solver FLUENT 6.2 (of Fluent Inc., USA). The predicted solid concentration distribution was compared with the experimental data of Yamazaki et al. [1986. Concentration profiles of solids suspended in a stirred tank. Powder Technology 48, 205-216]. The computational model was then further extended to simulate and understand the implications of the suspension quality on liquid-phase mixing process. The computational model and the predicted results discussed here will be useful for understanding the liquid-phase mixing process in stirred slurry reactors in various stages of solid suspension.     

Residence-time distribution as a measure of mixing in T-junction and multilaminated/elongational flow micromixers

The ineffective mixing in microchannel mixers or reactors, primarily due to the laminar flow behavior in such microfluidic devices, has become an issue of significant interest to many researchers working in the field of microreaction engineering and related disciplines. The present study describes the numerical and experimental investigation of mixing performance in a proposed multilaminated/elongational flow micromixer (herein referred to as MEFM-4) and a standard T-junction micromixer (TjM). These two micromixers that employ different mixing enhancement strategies were fabricated from silicon using micro-electromechanical systems (MEMS) technology. Computational fluid dynamics (CFD) approach was first used to establish the experimental platform for the mixing study. Tracer experiment utilizing UV–vis absorption spectroscopy detection technique was used to obtain the required concentration data for residence-time distribution (RTD) analysis. The RTD and its coefficient of variation (CoV) were used for indirect characterization of flow and mixing behavior in the micromixers. Using this measure, the proposed MEFM-4, as expected, exhibits a better mixing performance (with its narrower RTD and lower CoV values) than the standard TjM. The comparison of results from the CFD simulation and the experiment shows very good agreement, especially in the low Reynolds number flow regime (Re<29). In combination with matching experiment and advanced microfabrication techniques, CFD simulation is a powerful tool for effective design and evaluation of simple to complex microfluidic devices for useful applications in chemical analysis and synthesis.     

Computational Fluid Dynamics Study of a Styrene Polymerization Reactor

The computational fluid dynamics (CFD) approach was adopted to simulate benzoyl peroxide (BPO)‐initiated styrene polymerization in a laboratory‐scale continuous stirred‐tank reactor (CSTR). The CFD results revealed the effects of non‐homogeneity and the short‐circuiting of the unreacted styrene and initiator on the reactor performance. The study also investigated the effects of the impeller speed and the residence time on the conversion and the flow behavior of the system. The CFD simulation showed that intense mixing remained confined to a small region near the impeller. With increasing impeller speed, it was found that the perfectly mixed region near the impeller expanded, thus reducing non‐homogeneity. Different contours were generated and exhibited the effect of the mixing parameters on the propagation rate and styrene conversion. The monomer and initiator conversions predicted with the CFD model were compared to those obtained with a CSTR model. The CFD model accounts for the non‐ideality behavior of the polymerization reactor, and hence conversion predictions are more realistic.     

下喷式环流反应器液相流动特性研究

液相停留时间分布分析用于下喷式环流反应器导流筒顶部区域、底部区域、环隙流体流动特性研究。分别将轴向扩散模型应用到各个区域,实验结果表明轴向扩散模型能较好的预测反应器内流体的停留时间分布。采用最小二乘法拟合实验响应曲线,得到模型方程参数。结果表明各个部分的Pe值均随液体喷射速度的增大而减小。导流筒顶部区域的Pe值变化范围为:25.4~6.6;导流筒底部区域的Pe值变化范围为:45.4~11.6;环隙的Pe值变化范围为:60.0~39.2。结果表明导流筒顶部区域返混最大,环隙区域接近于平推流。反应器混和时间随液体喷射速度的增大而减小,变化范围为:88.3~12.5 s。     

泰勒反应器中流体流动及停留时间分布研究

以水为介质对泰勒反应器中的流动状况和停留时间及其分布(RTD)进行了研究,并应用计算流体力学(CFD)技术对反应器进行了流场模拟和RTD计算。结果表明,在实验范围内,泰勒反应器中停留时间分布受内筒转速、轴向流动速率等因素影响,基于流体力学计算结果与实验结果基本相当。     

CFD models of jet mixing and their validation by tracer experiments

The classical theory of RTD was applied to characterize a flow in a laboratory jet mixer using both numerical and experimental approaches. Detailed information about flow field in the reactor was obtained through computational fluid dynamics (CFD) simulations. Three different turbulence models have been tested: the standard k-?, RNG k-? and Reynolds Stress Model (RSM). The CFD models predicted slight yet relevant differences in flow patterns. The experimental RTD can be used to identify erroneous numerical results. This paper points out differences in the predicted flow velocities. Such discrepancy may have significant impact on the assessment of the reactor's performance. Thus, the role of experimental verification is emphasized. A dedicated experiment is proposed to resolve the potential validation problem.     

Three dimensional CFD simulations of gas–liquid flow in milli torus reactor without agitation

The paper presents the results of numerical simulations of the fluid flow in milli torus reactor operated as airlift without agitation. CFD simulations were performed in 3D using FLUENT 6.2.16 numerical software. Unstructured mesh for prediction of gas hold up inside the milli torus reactor was investigated. An Eulerian-Eulerian multi-fluid approach was applied with a k − ? turbulence model. The inter-phase drag forces were used. For simplification of the solution, the bubbles inside the reactor were assumed to have the same size. The computed gas hold up was compared with the experimental data, a good agreement was obtained for unstructured meshing. For such mesh, simulations were validated with experimental residence time distribution (RTD) determination.     

CFD simulation of mixing in tall gas-liquid stirred vessel: Role of local flow patterns

In this work, we have used the computational fluid dynamics (CFD)-based models to investigate the gas-liquid flows generated by three down-pumping pitched blade turbines. A two-fluid model along with the standard k-ε turbulence model was used to simulate the dispersed gas-liquid flow in a stirred vessel. Appropriate drag corrections to account for bulk turbulence [Khopkar and Ranade, 2005. CFD simulation of gas-liquid flow in a stirred vessel: VC, S33 and L33 flow regimes. A.I.Ch.E. Journal, accepted for publication] were developed to correctly simulate different flow regimes. The computational snapshot approach was used to simulate impeller rotation and was implemented in the commercial CFD code, FLUENT4.5 (of Fluent. Inc., USA). The computational model has successfully captured the flow regimes as observed during experiments. The particle trajectory simulations were then carried out to examine the influence of the different flow regimes on the circulation time distribution. The model predictions were verified by comparing the predicted results with the experimental data of [Shewale and Pandit, 2006. Studies in multiple impeller agitated gas-liquid contactors. Chemical Engineering Science 61, 489-504]. The computational model and results discussed in this study would be useful for explaining the implications local flow patterns on the mixing process and extending the applications of CFD models for simulating large multiphase stirred reactors.     

CFD Modelling of Mixing Effects on the Course of Parallel Chemical Reactions Carried out in a Stirred Tank

Effects of turbulent mixing on the course of two fast parallel chemical reactions (neutralization of sodium hydroxide and hydrolysis of ethyl chloroacetate) carried out in a semibatch stirred tank reactor are experimentally investigated and numerically simulated. The flow pattern in the stirred tank is predicted using CFD and experimentally validated using Laser Doppler Anemometry. Mixing effects are modelled using three CFD based models. In the first and the second model the Beta probability distribution and the spiked distribution are used respectively; in the third model concentration fluctuations are neglected.     

Mixing performance comparison of milliscale continuous high‐shear mixers

Mixing performance of two continuous flow millilitre‐scale reactors (volumes 9.5 mL and 2.5 mL) equipped with rotor‐stator mixers was studied. Cumulative residence time distributions (RTD) were determined experimentally using a step response method. Distributions were measured for both reactors by varying impeller speed and feed flow rate. The mixing effect was determined by measured RTDs. Computational fluid dynamics (CFD) were used to verify that the residence time distribution in the measurement outlet agreed with the outlet flow. The mixing power of both reactors was determined using a calorimetric method. The reactor inlet flow rate was found to affect mixing performance at 1–13 s residence times but the effect of impeller speed could not be noted. Both milliscale reactors are close to an ideal continuous stirred‐tank reactor (CSTR) at the studied impeller speed and flow rate ranges. The specific interfacial area was found to depend on the reactor inlet flow rate at constant impeller speed for the case of copper solvent extraction.

     

Experimental determination and numerical simulation of mixing time in a gas-liquid stirred tank

In this work, mixing experiments and numerical simulations of flow and macro-mixing were carried out in a 0.24 m i.d. gas-liquid stirred tank agitated by a Rushton turbine. The conductivity technique was used to measure the mixing time. A two-phase CFD (computational fluid dynamics) model was developed to calculate the flow field, k and ε distributions and holdup. Comparison between the predictions and the reported experimental data [Lu, W.M., Ju, S.J., 1987. Local gas holdup, mean liquid velocity and turbulence in an aerated stirred tank using hot-film anemometry. Chemical Engineering Journal 35 (1), 9-17] of flow field and holdup at same conditions were investigated and good agreements have been got. As the complexity of gas-liquid systems, there was still no report on the prediction of mixing time through CFD models in a gas-liquid stirred tank. In this paper, the two-phase CFD model was extended for the prediction of the mixing time in the gas-liquid stirred tank for the first time. The effects of operating parameters such as impeller speed, gas flow rate and feed position on the mixing time were compared. Good agreements between the simulations and experimental values of the mixing time have also been achieved.     

Characterization of mixing and residence time distributions in nozzle-type reactors

Studies of flow characteristics and residence time distribution, (RTD), have been undertaken in a range of geometrically similar, laboratory nozzle-type reactors. High-speed cine-photography was employed to record the complex phenomena of liquid mixing in the reactor and also to record on film the colour of an injected tracer solution leaving in the effluent. A novel atomic absorption spectrophotometric (AAS) technique was applied to transform the results of the latter film into response curves. This technique provide detailed quantitative data on the residence time distributions (RTD) for different feed rates. A multiparameter model, comprising a network of CSTR's and plug flows, was developed to simulate the experimental response data. Good agreement was obtained between model predictions and experimental results. The experimental technique and theoretical approach are recommended for analyzing the flow patterns and mixing mechanisms in such reactors.     

Residence Time Distributions in Ozone Contactors

The hydraulics in ozone systems, characterized by the residence time distribution, are investigated numerically as well as experimentally. The complex geometry of the ozone contactors requires the application of computational fluid dynamics (CFD), which in combination with experimental results gives insight in the hydraulic processes. Particle tracking provides a distribution of CT-values (dissolved ozone concentration times residence time) to estimate disinfection precisely and points out dead zones that hamper disinfection. The CFD modeling predicts that small changes in geometry reducing the strength of the recirculation zone can significantly increase the inactivation of micro-organisms.     

A shrinking-aggregate two-environment mixing model

A two-environment mixing model is proposed to predict the conversion of a homogeneous reaction in a continuous stirred-tank reactor with premixed feed. The entering fluid is assumed to consist of spherical aggregates segregated from the fluid in the reactor. The aggregates shrink and fluid from the aggregates enter a maximum-mixedness, or nonsegregated, flow region. The aggregate shrinking rate is a function of the aggregate age. The model parameters—the fluid residence time and the entering and exiting flow rates in each environment—are determined a priori using a shrinking-aggregate model and the residence time distribution of the system. Model predictions are compared to experimental results.     

The effect of the draft tube geometry on mixing in a reactor with an internal circulation loop – A CFD simulation

The main topic of this paper is to describe the effect of geometrical parameters on mixing time in a reactor with an internal circulation loop. The design of the draft tube inside the reactor is an important geometric parameter and has a big influence on two phase hydrodynamics as well as on mass transfer in the reactor. In the first section, the validation of the selected mathematical model is carried out. The results of experimental measurements (liquid velocity and gas hold-up) obtained on the laboratory scale reactor are compared with the CFD simulations. The CFD simulation (bubbly flow and mass transfer models) was made using COMSOL Multiphysics 3.5a. The results of the numerical simulation are in good agreement with the experimental data. In the second section, the study of mixing in the reactor is described with the new geometry of the draft tube. The standard experimental techniques for testing mixing processes are quite problematic because common tracers (soluble salts) have significant influence on two phase hydrodynamics inside the reactor. Though, an alternative nontrivial method had to be used. The split of the draft tube into two or three section has a significant effect on mixing (mass transfer) in the reactor.     

Verification and validation of CFD simulations for local flow dynamics in a draft tube airlift bioreactor

Airlift reactors have been recognized as one of the promising photobioreactors for biomass/bio-energy production, where mixing has significant impact on the reactor performance. In recent years, using CFD simulations to track microorganism cells and to generate their trajectories in the reactor for reactor performance evaluations becomes more common. However, there is a lack of systematic and rigorous verifications and validations of the reliability of CFD models in particle tracking against experimental measurements in the open literature, which is vital for the faithful application of CFD in reactor design and scale-ups. In this work, we attempt to evaluate the reliability of using CFD simulations to generate trajectories of microorganisms in a draft tube column photobioreactor. A computationally promising CFD simulation model based on CFX5.7 was validated against a benchmark experimental database reported in [Luo and Al-Dahhan, 2008a] , [Luo and Al-Dahhan, 2008b] and [Luo and Al-Dahhan, 2010] . This model was then used to generate typical trajectories of microorganisms in the studied airlift column, which was further validated against experimentally measured tracer trajectories. The results indicated that the CFD model reasonably predicted the recirculation of the microorganism around the draft tube, however over-estimated the cells' residence time in the wall regions. Proper treatment for the wall region such as griding and wall function is needed to better capture the movement of microorganism cells in such bioreactors.     

Liquid phase axial mixing in bubble columns operated at high pressures

Liquid phase axial mixing was measured in a 100 mm i.d. bubble column operated in the pressure range of 0.1-0.5 MPa. Water, ethanol and 1-butanol were used as the liquid phase and nitrogen as the gas phase. The temperature and superficial gas velocity were varied in the range of 298-323 K and 0.01-0.21 m/s, respectively. The axial dispersion coefficient increased with an increase in the gas density due to pressure. The temperature had surprisingly a small effect. A CFD model was developed for the prediction of flow pattern in terms of mean velocity and eddy diffusivity profiles. The model was further extended for the prediction of residence time distribution and hence the axial dispersion coefficient (D_L). The predictions of axial dispersion coefficient agree favorably with all the experimental data collected in this work as well as published in the literature. The model was extended for different gas-liquid systems. The predicted values of axial dispersion coefficient were found to agree very well with all the experimental data.     

Circumferential mixing in one-phase and two-phase Taylor vortex flows

This work deals with the experimental study of the circumferential mixing in the Taylor vortex flow between coaxial cylinders. Each pair of vortices is considered as a closed chemical reactor and the residence time distribution in this reactor is determined by an electrochemical method. The tanks-in-series model with recirculation is applied to describe the flow in the vortex reactor; the circumferential mixing is characterized by the number of tanks in series and by the mixing time. Experiments were carried out with one-phase flow and with two-phase liquid—liquid flow. It is shown that stirring due to the liquid droplets increases the circumferential mixing.     

CFD simulation of solid–liquid flow in a two impinging streams cyclone reactor: Prediction of mean residence time and holdup of solid particles

The hydrodynamic behavior of a two impinging streams cyclone reactor (TISCR) was simulated using the computational fluid dynamics (CFD) technique. An Eulerian multiphase model has been used to compute the unsteady flow of a solid–liquid suspension in a 3D geometric configuration. The mean residence time (t_m) and holdup of solid particles were calculated from a number of simulated results obtained at different solid and liquid flow rates. The CFD simulation results were compared with the experimental data available in the literature and a fairly well agreement was observed. Such a correlation was gradually improved with increasing solid flow rate.