Simulation of a catalytic turbulent fluidized bed reactor using the sequential modular approach

Combustion of natural gas in fluidized bed reactors is considered as an economical way for producing energy and food-grade CO₂ largely needed in food and chemical industries. Therefore, their simulation and modeling could be of great industrial importance. In this study, a model is developed based on the sequential modular approach for combustion of natural gas in a catalytic turbulent fluidized bed (TFB) reactor. The proposed model integrates hydrodynamic parameters, reaction model and kinetic data necessary to simulate the combustion of natural gas in the catalytic turbulent fluidized bed reactor. For the purpose of this study and based on hydrodynamic considerations, a number of ideal reactors have been considered to simulate the overall performance of the reactor. The validity of the proposed model was demonstrated using the pilot plant experimental data from the literature. The agreement between the simulation results and the experimental data was found to be satisfactory.     

Two‐Phase Sequential Simulation of a Fluidized Bed Reformer

A two‐phase flow model is adapted in order to predict the performance of a fluidized bed reformer using the sequential modular simulator. Since there are physical and chemical phenomena interacting in the reformer, two sub‐models appear to be necessary to describe the overall model. These are the hydrodynamic and reaction sub‐models. The hydrodynamic sub‐model is based on the dynamic two‐phase model and the reaction sub‐model is derived from the literature. In the overall model, the bed is divided into several sections. At each section, the flow of the gas is considered as plug flow through the bubble phase and to be perfectly mixed through the emulsion phase. Two sets of experimental data from the literature at different hydrodynamic regimes were used in order to validate the proposed model. A close agreement was observed between the model predictions and the experimental data. The model proposed in this work may be used as a framework for the development of sophisticated models for non‐ideal reactors inside process simulators.     

基于计算流体力学的气相烯烃聚合反应器模拟综述

气相聚合过程以流化床为核心反应器,其混合、传递和化学反应过程规律对工艺研发具有指导意义。计算流体力学是一种模拟流体流动的方法,可节省大量人力和物力并提供更全面的反应过程信息,在气固流态化领域得到广泛应用。基于计算流体力学的流态化模拟的难点在于如何建立能够恰当描述颗粒团聚过程的曳力模型,关于热量传递甚至聚合反应过程的模拟工作都是基于此发生的。随着计算机运算能力的提高,研究工业尺度的流化床反应器以及由粒径分布而带来的传递过程的影响可能成为模型广度及深度发展的方向。     

Reactor Modeling of Gas‐Phase Polymerization of Ethylene

A model is developed for evaluating the performance of industrial‐scale gas‐phase polyethylene production reactors. This model is able to predict the properties of the produced polymer for both linear low‐density and high‐density polyethylene grades. A pseudo‐homogeneous state was assumed in the fluidized bed reactor based on negligible heat and mass transfer resistances between the bubble and emulsion phases. The nonideal flow pattern in the fluidized bed reactor was described by the tanks‐in‐series model based on the information obtained in the literature. The kinetic model used in this work allows to predict the properties of the produced polymer. The presented model was compared with the actual data in terms of melt index and density and it was shown that there is a good agreement between the actual and calculated properties of the polymer. New correlations were developed to predict the melt index and density of polyethylene based on the operating conditions of the reactor and composition of the reactants in feed.     

Particle‐scale simulation of the flow and heat transfer behaviors in fluidized bed with immersed tube

A kind of new modified computational fluid dynamics‐discrete element method (CFD‐DEM) method was founded by combining CFD based on unstructured mesh and DEM. The turbulent dense gas–solid two phase flow and the heat transfer in the equipment with complex geometry can be simulated by the programs based on the new method when the k‐ε turbulence model and the multiway coupling heat transfer model among particles, walls and gas were employed. The new CFD‐DEM coupling method that combining k‐ε turbulence model and heat transfer model, was employed to simulate the flow and the heat transfer behaviors in the fluidized bed with an immersed tube. The microscale mechanism of heat transfer in the fluidized bed was explored by the simulation results and the critical factors that influence the heat transfer between the tube and the bed were discussed. The profiles of average solids fraction and heat transfer coefficient between gas‐tube and particle‐tube around the tube were obtained and the influences of fluidization parameters such as gas velocity and particle diameter on the transfer coefficient were explored by simulations. The computational results agree well with the experiment, which shows that the new CFD‐DEM method is feasible and accurate for the simulation of complex gas–solid flow with heat transfer. And this will improve the farther simulation study of the gas–solid two phase flow with chemical reactions in the fluidized bed. © 2009 American Institute of Chemical Engineers AIChE J, 2009     

Grundlagen der Wirbelschichttechnik

Fundamentals of fluidized bed technology . Although gas/solids fluidized beds have long been successfully employed in a variety of industrial processes, the design and optimization of fluidized bed reactors still presents considerable difficulties, owing to the complex nature of gas/solids flow in the fluidized bed. The present review collects various flow-mechanical principles for the design of fluidized bed equipment. The central role of flow mechanics in the operating properties, and in particular for scale-up of fluidized bed reactors, is illustrated for the model of a simple heterogeneously catalyzed gas-phase reaction.     

Numerical simulation of horizontal jet penetration in a three-dimensional fluidized bed

The introduction of reactant gas as a jet into a fluidized bed chemical reactor is often encountered in various industrial applications. Understanding the hydrodynamics of the gas and solid flow resulting from the gas jet can have considerable significance in improving the reactor design and process optimization. In this work, a three-dimensional numerical simulation of a single horizontal gas jet into a cylindrical gas-solid fluidized bed of laboratory scale is conducted. A scaled drag model is proposed and implemented into the simulation of a fluidized bed of FCC particles. The gas and particles flow in the fluidized bed is investigated by analyzing the transient simulation results. The jet penetration lengths of different jet velocities have been obtained and compared with published experimental data as well as with predictions of empirical correlations. The predictions by several empirical correlations are discussed. A good agreement between the numerical simulation and experimental results has been achieved.     

有机硅单体合成的气固流化床的三维数值模拟

为了探索有机硅单体合成气固流化床内硅粉颗粒的流化特性,作者利用计算流体力学CFD软件,采用双欧拉气固两相流模型及SIMPLE算法,模拟了三维的气固流化床内硅粉颗粒的流化特性;分析了气泡生成、长大和破裂的过程,及不同床层高度的固体颗粒运动速度矢量图,不同床层高度处横截面颗粒体积分数变化。结果表明:三维模拟能直观的表现颗粒在流化床中的流化状态,为工业生产及应用提供了有效的依据。     

A CFD‐PBM‐PMLM integrated model for the gas–solid flow fields in fluidized bed polymerization reactors

Although the use of computational fluid dynamics (CFD) model coupled with population balance (CFD‐PBM) is becoming a common approach for simulating gas–solid flows in polydisperse fluidized bed polymerization reactors, a number of issues still remain. One major issue is the absence of modeling the growth of a single polymeric particle. In this work a polymeric multilayer model (PMLM) was applied to describe the growth of a single particle under the intraparticle transfer limitations. The PMLM was solved together with a PBM (i.e. PBM‐PMLM) to predict the dynamic evolution of particle size distribution (PSD). In addition, a CFD model based on the Eulerian‐Eulerian two‐fluid model, coupled with PBM‐PMLM (CFD‐PBM‐PMLM), has been implemented to describe the gas–solid flow field in fluidized bed polymerization reactors. The CFD‐PBM‐PMLM model has been validated by comparing simulation results with some classical experimental data. Five cases including fluid dynamics coupled purely continuous PSD, pure particle growth, pure particle aggregation, pure particle breakage, and flow dynamics coupled with all the above factors were carried out to examine the model. The results showed that the CFD‐PBM‐PMLM model describes well the behavior of the gas–solid flow fields in polydisperse fluidized bed polymerization reactors. The results also showed that the intraparticle mass transfer limitation is an important factor in affecting the reactor flow fields. © 2011 American Institute of Chemical Engineers AIChE J, 58: 1717–1732, 2012     

CFD simulation study of the effect of baffles on the fluidized bed for hydrogenation of silicon tetrachloride

In this study, the effect of channel baffles and louver baffles on the flow pattern in the large-scale industrial fluidized beds was studied by computational fluid dynamics (CFD) methods. Then, the effect of flow pattern on the chemical reaction performance was studied for the first time. Simulation results showed that the gas velocity distributed more uniformly, solid particles dispersed more homogeneously and aggregation scarcely occurred in the fluidized bed with louver baffles than that with channel baffles. The residence time distribution indicated that louver baffles remarkably suppressed gas back-mixing in comparison with channel baffles. The reasonable agreements of pressure distribution and reaction results between the simulation in the bed with channel baffles and the data on a large-scale industrial apparatus demonstrated the accuracy of the CFD model. The predicted conversion of SiCl₄ in the bed with louver baffles (27.44%) was higher than that with channel baffles (22.69%), indicating that louver baffles markedly improved the performance of the fluidized bed. This study could provide useful information for future structural improvements of baffles in large-scale fluidized beds.     

化工流化床技术在铀燃料循环工业中的应用

阐述了化工流化床技术在铀燃料循环工业各个过程中的具体应用,包括铀矿石浸析、铀化学转化、铀同位素富集、水堆燃料元件制备、高温气冷堆燃料元件制造、乏燃料后处理、铀燃料工业三废处理以及新型流化床核反应堆概念设计等过程。概述了各种应用流化床的类型和构造,结合具体应用过程评价了各种流化床的设计特性和优缺点,展望了流化床技术在铀燃料循环工业中的未来发展方向和广阔应用前景。指出必须结合我国核电快速发展的新趋势和新要求,加大针对铀燃料工业中的流化床应用技术研究,特别是气固流化床的基础研究工作。     

Computer Simulation of the Performance of a Downer‐Regenerator CFB for the Partial Oxidation of n‐Butane to Maleic Anhydride

A reactor model for a downer‐regenerator circulating fluidized‐bed (CFB) during the partial oxidation of n‐butane to maleic anhydride is presented. Upflow reactors (risers) suffer from severe solids back mixing and gas‐solids‐separation, in comparison down flow reactors exhibit a more uniform gas‐solids flow and reduced backmixing, resulting in narrower residence time distributions. Due to the sensitivity of the VPO catalyst to over‐reduction, downer reactors present an interesting alternative to riser reactors. The reactor models for the downer and the regenerator fluidized‐bed are coupled with reduction and oxidation kinetics for the catalyst, respectively. The influence of the solids residence time distributions for the combined system of both reactors on the oxidation state of the catalyst is explored by a novel newly developed oxygen loading distribution. Simulation results suggest the limited solids‐flux in downers restrict the maximum butane concentrations, while the scale‐up is predicted to be uncritical.     

拟泡-乳曳力模型在大型高温费托流化床反应器中的CFD模拟研究

以带冷却盘管的大型高温费托流化床反应器为研究对象,开展三维计算流体力学模拟研究。传统双流体模型基于局部平均的假设,认为单位控制体内气固两相均匀分布,网格尺寸必须足够小才能正确揭示局部非均匀结构的所有细节。采用双流体模型模拟大型工业化流化床装置时,将导致网格数量过于庞大,远超现有计算能力。为提高计算效率的同时不损失模拟精度,提出了基于局部非均匀假设、适用于粗网格的拟泡-乳三相非均匀曳力(PBTD)模型。该模型将流化床分为乳化相气体、乳化相颗粒以及气泡三相,分别建立守恒方程,体现气泡的非均匀特性对气固曳力的影响。乳化相内气固曳力以及气泡相与乳化相内颗粒的曳力分开考虑。采用PBTD模型耦合传质和反应模型,建立基于局部非均匀假设的高温费托合成反应器三维流动-传递-反应模型,包括各相守恒控制方程、气泡尺寸模型、相间物质和动量交换模型、高温费托合成反应动力学模型以及初始和边界条件,预测反应器内的流场和组分浓度分布。研究结果表明:在粗网格条件下,非均匀曳力模型可以预测床层内相含率的分布情况,预测的床层膨胀高度与经验公式计算值接近,偏差为1.2%。反应器出口气体组分的质量分数与试验测量值相近,偏差在1.5%~16.0%。模拟结果证实,基于非均匀假设的PBTD模型适用于模拟工业规模的鼓泡流化床反应器,对其设计开发和工业运行具有指导价值。     

A Novel Fluidized‐Bed Membrane Dual‐Type Reactor Concept for Methanol Synthesis

A novel fluidized‐bed membrane dual‐type methanol reactor (FBMDMR) concept is proposed in this paper. In this proposed reactor, the cold feed synthesis gas is fed to the tubes of the gas‐cooled reactor and flows in counter‐current mode with a reacting gas mixture in the shell side of the reactor, which is a novel membrane‐assisted fluidized bed. In this way, the synthesis gas is heated by heat of reaction which is produced in the reaction side. Hydrogen can penetrate from the feed synthesis gas side into the reaction side as a result of a hydrogen partial pressure difference between both sides. The outlet synthesis gas from this reactor is fed to tubes of the water‐cooled packed bed reactor and the chemical reaction is initiated by the catalyst. The partially converted gas leaving this reactor is directed into the shell of the gas‐cooled reactor and the reactions are completed in this fluidized‐bed side. This reactor configuration solves some drawbacks observed from the new conventional dual‐type methanol reactor, such as pressure drop, internal mass transfer limitations, radial gradient of concentration, and temperature in the gas‐cooled reactor. The two‐phase theory of fluidization is used to model and simulate the proposed reactor. An industrial dual‐type methanol reactor (IDMR) and a fluidized‐bed dual‐type methanol reactor (FBDMR) are used as a basis for comparison. This comparison shows enhancement in the yield of methanol production in the fluidized‐bed membrane dual‐type methanol reactor (FBMDMR).     

Mathematische Modellierung von Wirbelschichtreaktoren

Mathematical modelling of fluidized bed reactors . Among the many fluidized bed models to be found in the literature, the two-phase model originally proposed by May has proved most suitable for accommodation of recent advances in flow mechanics: this model resolves the gas/solids fluidized bed into a bubble phase and a suspension phase surrounding the bubbles. Its limitation to slow reactions is a disadvantage. On the basis of the analogy between fluidized beds and gas/liquid systems, a general two-phase model that is valid for fast reactions has therefore been developed and its validity is confirmed by comparison with the experimental results obtained by other authors. The model describes mass transfer across the phase interface with the aid of the film theory known from gas/liquid reactor technology, and the reaction occurring in the suspension phase as a pseudo-homogeneous reaction. Since the dependence of the performance of fluidized bed reactors upon geometry is accounted for, the model can also be used for scale-up calculations. Its use is illustrated with the aid of design diagrams.     

Improvement of the Uniformity of Radial Solids Concentration Profiles in Circulating Fluidized‐Bed Risers

In order to enhance the uniformity of the radial solids distribution and thereby the performance of industrial circulating fluidized‐bed (CFB) risers, an approach by using the air jet from the riser circumference is proposed. The Eulerian‐Eulerian computational fluid dynamics (CFD) model with the kinetic theory of granular flow is adopted to simulate the gas‐solids two‐phase flow in a CFB riser with fluid catalytic cracking (FCC) particles. The numerical results indicate that by employing the circumferential air jet approach under appropriate jet velocities, the maximum solids concentration in the near‐wall region can be greatly reduced, the entrance region can be shortened, and the uniformity of the flow structure can be significantly improved.     

THE ROLE OF GAS DISTRIBUTION IN FLUIDIZED BED CHEMICAL REACTOR DESIGN†

The design of fluid bed gas distributors may have a marked influence on the performance of a fluid bed reactor. The primary physical reason for this influence is that the distributor design influences the hydrodynamics and thus the gas/solid contacting pattern in the fluidized bed.

In the paper presented here the influence of distributor design on mass transfer and chemical reaction has been investigated systematically in fluid bed reactors with diameters of 0.2 and 1.0 meter. Coefficients of mass transfer between the bubble phase and the suspension phase were determined from chemical conversion and tracer gas residence time distribution measurements. In the experimental program the height of the fluidized bed was varied between 0.3 m and 0.9 m with superficial gas velocities in the range of 0.06 m/s to 0.30 m/s.

The comparison of the experimental results with a suitably modified and extended two-phase model yields quantitative relationships which allow to account for the influence of the gas distributor in the design of fluid bed chemical reactors.     

THE ROLE OF GAS DISTRIBUTION IN FLUIDIZED BED CHEMICAL REACTOR DESIGN†

Abstract

The design of fluid bed gas distributors may have a marked influence on the performance of a fluid bed reactor. The primary physical reason for this influence is that the distributor design influences the hydrodynamics and thus the gas/solid contacting pattern in the fluidized bed.

In the paper presented here the influence of distributor design on mass transfer and chemical reaction has been investigated systematically in fluid bed reactors with diameters of 0.2 and 1.0 meter. Coefficients of mass transfer between the bubble phase and the suspension phase were determined from chemical conversion and tracer gas residence time distribution measurements. In the experimental program the height of the fluidized bed was varied between 0.3 m and 0.9 m with superficial gas velocities in the range of 0.06 m/s to 0.30 m/s.

The comparison of the experimental results with a suitably modified and extended two-phase model yields quantitative relationships which allow to account for the influence of the gas distributor in the design of fluid bed chemical reactors.