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.     

Numerische Simulation disperser Gas/Flüssig‐Strömungen in Blasensäulen bei hohen Gasgehalten mit OpenFOAM®. Teil 2 – Numerische Simulation und Ergebnisse

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 a selection of models. The results are further compared with those reported in literature. The simulations have 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.     

多相搅拌槽内宏观混合研究进展

多相搅拌槽反应器广泛应用于化工、冶金等过程工业中,而多相混合状态对于多相搅拌槽反应器的设计、优化和放大具有重要意义.混合时间是表征其宏观混合过程的一个重要参数.文中从实验和数值模拟二方面对多相搅拌槽反应器的液相混合时间研究进行综述,对气液、液固、液液、气液固4种体系的多相搅拌槽进行了分类总结,讨论了分散相、桨型、转速、...     

Modelling and simulation of trickle‐bed reactors using computational fluid dynamics: A state‐of‐the‐art review

Trickle‐bed reactors (TBRs), which accommodate the flow of gas and liquid phases through packed beds of catalysts, host a variety of gas–liquid–solid catalytic reactions, particularly in the petroleum/petrochemical industry. The multiphase flow hydrodynamics in TBRs are complex and directly affect the overall reactor performance in terms of reactant conversion and product yield and selectivity. Non‐ideal flow behaviours, such as flow maldistribution, channelling or partial catalyst wetting may significantly reduce the effectiveness of the reactor. However, conventional TBR modelling approaches cannot properly account for these non‐ideal behaviours owing to the complex coupling between fluid dynamics and chemical kinetics. Recent advances in the application of computational fluid dynamics (CFD) to three‐phase TBR systems have shown promise of achieving a deeper understanding of the interactions between multiphase fluid dynamics and chemical reactions. This study is intended to give a state‐of‐the‐art overview of the progress achieved in the field of CFD simulation of TBRs over the past two decades. The fundamental modelling framework of multiphase flow in TBRs, advances in important constitutive models, and the application of CFD models are discussed in detail. Directions for future research are suggested.     

Multiphase catalytic reactors: a perspective on current knowledge and future trends

ABSTRACT

Conventional and emerging processes that require the application of multiphase reactors are reviewed with an emphasis on catalytic processes. In the past, catalyst discovery and development preceded and drove the selection and development of an appropriate multiphase reactor type. This sequential approach is increasingly being replaced by a parallel approach to catalyst and reactor selection. Either approach requires quantitative models for the flow patterns, phase contacting, and transport in various multiphase reactor types. This review focuses on these physical parameters for various multiphase reactors. First, fixed-bed reactors are reviewed for gas-phase catalyzed processes with an emphasis on unsteady state operation. Fixed-bed reactors with two-phase flow are treated next. The similarities and differences are outlined between trickle beds with cocurrent gas–liquid downflow, trickle-beds with countercurrent gas–liquid flow, and packed-bubble columns where gas and liquid are contacted in cocurrent upflow. The advantages of cyclic operation are also outlined. This is followed by a discussion on conventional reactors with mobile catalysts, such as slurry bubble columns, ebullated beds, and agitated reactors. Several unconventional reactor types are reviewed also, such as monoliths for two-phase flow processing, membrane reactors, reactors with circulating solids, rotating packed beds, catalytic distillation, and moving-bed chromatographic reactors.

Numerous references are cited throughout the review, and the state-of-the-art is also summarized. Measurements and experimental characterization methods for multiphase systems as well as the role of computational fluid dynamics are not covered in a comprehensive manner due to other recent reviews in these areas. While it is evident that numerous studies have been conducted to elucidate the behavior of multiphase reactors, a key conclusion is that the current level of understanding can be improved further by the increased use of fundamentals.     

Computational fluid dynamic (CFD) simulation of a pilot-scale annular bubble column photocatalytic reactor

The behavior of an 18-l pilot-scale photocatalytic reactor has been investigated using a computational fluid dynamic (CFD) approach. The granular Eulerian model was used to describe the multiphase flow system. Solid recirculation was predicted while liquid velocity vectors were influenced by the gas flow. The companion radiation transport equation was iteratively solved using a finite-volume-based discrete ordinate method. The first-order photodegradation kinetics of spent Bayer liquor previously studied in the same reactor was used to evaluate the CFD simulation. A Pearson correlation coefficient 0.974 between simulated and experimental data is indicative of model adequacy.     

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.     

Development of a multi-scale simulation method for design of novel multiphase reactors

In this paper a multi-scale simulation method for modelling dispersions in a novel multiphase reactor is presented. This novel reactor is a continuous reactor which consists of repeated identical small mixing elements. The reactor is excellent for studying the effect of turbulence on drop size distributions since turbulence is continuously produced and dissipated along the reactor. Furthermore the energy dissipation within each element is very homogeneous. In addition it allows optical access at all positions along the reactor.Simulations were performed for a wide range of turbulence intensities for different dispersed phase hold-up. Each simulation was validated with measurements of the size distribution along the reactor. Good quantitative agreement was obtained at low hold-up in terms of prediction of the breakage rates and prediction of the size distributions. At higher hold-up the model gave reasonable predictions at low turbulence intensity however too large drops were predicted at high turbulence intensity. This can be a result of turbulence modulation and shows that reliable turbulence models for multiphase flows are necessary in this simulation method. The results show that physical models describing breakup and coalescence combined with CFD provide a good tool for efficient development and optimisation of novel multiphase reactors.     

气液两相流摆动特性实验的数值模拟

为了给鼓泡塔反应器设计提供依据,运用计算流体力学(CFD)软件模拟了鼓泡塔气液两相流动态行为。采用双欧拉法对鼓泡塔矩形反应器内不同曝气量下气液两相流的摆动特性进行了模拟考察,液相采用标准κ-ε紊流模型,气相采用分散相零方程模型,分析了网格尺寸、时间步长以及相间作用力对模拟结果的影响,模拟的曝气量为42.5~237 m L/s。结果表明,当相间作用力仅考虑阻力时,气液两相流呈现周期性摆动规律;随着气流量的增加,气泡羽流的摆动幅度和频率增大,同时液体的气含率也在增加;模拟的气液两相流摆动频率数据与实验值吻合较好,两者的相对误差为7.2%~12.9%。     

Local characteristics of hydrodynamics in draft tube airlift bioreactor

Airlift column reactors have been widely used in bioprocesses. The design, scale-up, and performance evaluation of such reactors all require extensive and accurate information about the gas–liquid flow dynamics, particularly as computational fluid dynamics (CFD) has become more popular in the last decade. However, due to the limitation of most conventional techniques for gas–liquid flow dynamics measurement, only global hydrodynamic parameters (e.g., cross-sectionally averaged liquid circulation velocity, overall gas holdup, and overall mass transfer rate) have been extensively studied. The local flow characteristics (e.g., the macro-mixing and the turbulence intensity) remain unclear. In this study, we use the computer automated radioactive particle tracking (CARPT) technique to investigate the details of the multiphase flow dynamics in a draft tube airlift bioreactor, such as the liquid velocity field, turbulent kinetic energy field, distributions of shear stresses, etc. The flow structures in the whole reactor, as well as the structure in individual regions, i.e., the top, the bottom, the riser, and the downcorner are also characterized. We found significantly large turbulent kinetic energy in the top and the bottom regions, with spots of very high shear stress, which were also found in the vicinity of the sparger. The results also suggest that the top and bottom clearances have significant effects on the flow structures, which may have substantial effects on the bioreactor performance.     

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.     

Performance of stress-transport models in the prediction of particle-to-fluid heat transfer in packed beds

Computational fluid dynamics (CFD) as a simulation tool allows obtaining a more complete view of the fluid flow and heat transfer mechanisms in packed bed reactors, through the resolution of 3D Reynolds averaged transport equations, together with a turbulence model when needed. This tool allows obtaining mean velocity and temperature values as well as their fluctuations at any point of the bed. An important problem when a CFD modeling is performed for turbulent flow in a packed bed reactor is to decide which turbulence model is the most accurate for this situation. Turbulence models based on the assumption of a scalar eddy viscosity for computing the turbulence stresses, so-called eddy viscosity models (EVM), seem insufficient in this case due to the big flow complexity. The use of models based on transport equations for the turbulence stresses, so-called second order closure modeling or Reynolds stress modeling (RSM), could be a better option in this case, because these models capture more of the involved physics in this kind of flow.To gain insight into this subject, a comparison between the performance in flow and heat transfer estimation of RSM and EVM turbulence models was conducted in a packed bed by solving the 3D Reynolds averaged momentum and energy equations. Several setups were defined and then computed. Thus, the numerical pressure drop, velocity, and thermal fields within the bed were obtained. In order to judge the capabilities of these turbulence models, the Nusselt number (Nu) was computed from numerical data as well as the pressure drop. Then, they were compared with commonly used correlations for parameter estimations in packed bed reactors. The numerical results obtained show that RSM give similar results as EVM for the cases checked, but with a considerably larger computational effort. This fact suggests that for this application, even though the RSM goes further into the flow physics, this does not lead to a relevant improvement in parameter estimation when compared to the performance of EVM models used.     

分布器结构对环流反应器气含率分布的影响

采用κ-ε二方程模型和欧拉多相流模型,对一种单筒单级气升式气液环流反应器内的湍流气液两相流进行了全尺寸的数值模拟研究,考察了采用3种不同气体分布器时反应器内气含率和流速分布的细节.模拟结果表明不同结构的分布器对总体气含率和内筒中的两相速度分布有很大影响,因而对气含率分布和气液两相接触效果有较大影响,从而对反应过程产生影响.单环分布器产生的气液两相接触效果较差,对于反应过程很不利.对于大直径的环流反应器推荐使用多环分布器.计算所得的整体气含率与实测的整体气含率进行了对比,吻合较好.     

Influence of the turbulence model in CFD modeling of wall-to-fluid heat transfer in packed beds

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_w, k_r/k_f) are estimated from numerical data and together with the pressure drop are compared to commonly used correlations for parameter estimations in fixed-bed reactors.     

Prediction of the Induced Gas Flow Rate from a Self‐Inducing Impeller with CFD

The complex task of describing computationally two‐phase turbulent flows in aerated stirred‐tank reactors was overcome by proposing that the gas flow rate in the hollow impeller can be estimated from single‐phase flow simulations of the liquid phase in the reactor: the pressure at the impeller surface obtained from liquid phase simulations can be related to the gas induction rate. A commercial lab‐scale reactor with a radial six‐bladed hollow impeller was chosen for the study. To validate the presented methodology, the induced gas flow rate was measured experimentally from the tracking of the position of bubbles in a dynamic sequence of flow images. Notwithstanding the simplifications assumed in the presented CFD methodology, good agreement has been obtained between numerical results and experiments.     

Measuring techniques in gas-liquid and gas-liquid-solid reactors

This article offers an overview of the instrumentation techniques developed for multiphase flow analysis either in gas/liquid or in gas/liquid/solid reactors. To characterise properly such reactors, experimental data have to be acquired at different space scale or time frequency. The existing multiphase flow metering techniques described give information concerning reactor hydrodynamics such as pressure, phases holdups, phases velocities, flow regime, size and shape of dispersed inclusions, axial diffusion coefficients. The measuring techniques are presented in two groups: the non-intrusive techniques that deliver global, cross-section-averaged or local data, and the intrusive probes that are dedicated to local measurements. Eventually some examples of multiphase instrumentation development are reported (trickle-bed and slurry bubble column at semi-industrial scale) in the refinery or petrochemical area.     

Experimental and computational fluid dynamic study of reacting gas jet in liquid: Flow pattern and heat transfer

The flow behavior of a jet reactor (consisting of a gaseous jet submerged in a molten-metal bath) is very complex. These are operated at high temperatures (1500–3000 K) and need to be contained within a heavy metal enclosure. The design of such reactors requires a prior knowledge of the jet dimensions, flow pattern and heat transfer characteristics. However, the fuel opaqueness and the high temperature of the jet create difficulties in observing the reaction mass visually and therefore the literature contains a very brief account of the experimental measurements of the flow pattern. Hence, a systematic study has been undertaken with a reaction pair (HCl gas jet submerged in aqueous NH₃), which has the potential for simulating the real systems. The present work is concerned with the CFD simulations by employing k–ε turbulence model and large eddy simulations (LES). The measurements and simulations have been carried out over a wide range of gas velocities (53–323 m/s) and these have been compared with the CFD simulations. A comprehensive comparison has also been made between the k–ε and the LES for the mean flow, temperature and the turbulent kinetic energy. An attempt has been made to understand the relative performance of these models. Further, complete energy balance has been established between the energy supply rate through the jet and the energy dissipation rate within the reactor. The plume characteristics obtained from CFD simulations have been compared qualitatively with the photographic images.     

3‐D Simulations of an Internal Airlift Loop Reactor using a Steady Two‐Fluid Model

Three‐dimensional (3‐D) simulations of an internal airlift loop reactor in a cylindrical reference frame are presented, which are based on a two‐fluid model with a revised k‐? turbulence model for two‐phase bubbly flow. A steady state formulation is used with the purpose of time saving for cases with superficial gas velocity values as high as 0.12 m/s. Special 3‐D treatment of the boundary conditions at the axis is undertaken to allow asymmetric gas‐liquid flow. The simulation results are compared to the experimental data on average gas holdup, average liquid velocity in the riser and the downcomer, and good agreement is observed. The turbulent dispersion in the present two‐fluid model has a strong effect on the gas holdup distribution and wall‐peaking behavior is predicted. The CFD code developed has the potential to be applied as a tool for scaling up loop reactors.     

Numerische Simulation disperser Gas/Flüssig‐Strömungen in Blasensäulen bei hohen Gasgehalten mit OpenFOAM® Teil 1 – Grundlagen der Modellierung

Various chemical products are synthesized in processes using gas/liquid reactors with bubbly flows. Hence, there is significant interest in a more efficient process design as well as in process intensification with a strong focus on this reactor class. However, the design of industrial gas/liquid reactors requires more detailed information about the flow structures and characteristics of two‐ or multiphase systems. The basic models for two‐fluid model simulations of dispersed gas/liquid flows in bubble columns at high gas fractions are presented..