基于精细自由基反应机理的丙烷裂解炉炉管CFD模拟(英文)

In the radiant section of cracking furnace, the thermal cracking process is highly coupled with turbulent flow, heat transfer and mass transfer. In this paper, a three-dimensional simulation of propane pyrolysis reactor tube is performed based on a detailed kinetic radical cracking scheme, combined with a comprehensive rigorous computational fluid dynamics（CFD） model. The eddy-dissipation-concept（EDC） model is introduced to deal with turbulence-chemistry interaction of cracking gas, especially for the multi-step radical kinetics. Considering the high aspect ratio and severe gradient phenomenon, numerical strategies such as grid resolution and refinement, stepping method and relaxation technique at different levels are employed to accelerate convergence. Large scale of radial nonuniformity in the vicinity of the tube wall is investigated. Spatial distributions of each radical reaction rate are first studied, and made it possible to identify the dominant elementary reactions. Additionally, a series of operating conditions including the feedstock feed rate, wall temperature profile and heat flux profile towards the reactor tubes are investigated. The obtained results can be used as scientific guide for further technical retrofit and operation optimization aiming at high conversion and selectivity of pyrolysis process.     

流体流动型态对膜通量影响的实验和计算流体力学研究

This paper reports a study on the role of fluid flow pattern and dynamic pressure on the permeate flux through a micro filtration membrane in laboratory scale. For this purpose, a dead-end membrane cell equipped with a marine type impeller was used. The impeller was set to rotate in the clockwise and counter clockwise directions with the same angular velocities in order to illustrate the effect of rotation direction on permeate flux. Consequently, permeate fluxes were measured at various impeller rotational speeds. The computational fluid dynamics (CFD) pre-dicted dynamic pressure was related to the fluxes obtained in the experiments. Using the CFD modeling, it is proven that the change in dynamic pressure upon the membrane surface has direct effect on the permeate flux.     

规整填料塔内两相流动的三维计算流体力学建模(英文)

Characterizing the complex two-phase hydrodynamics in structured packed columns requires a power- ful modeling tool. The traditional two-dimensional model exhibits limitations when one attempts to model the de- tailed two-phase flow inside the columns. The present paper presents a three-dimensional computational fluid dy- namics （CFD） model to simulate the two-phase flow in a representative unit of the column. The unit consists of an CFD calculations on column packed with Flexipak 1Y were implemented within the volume of fluid （VOF） mathe- matical framework. The CFD model was validated by comparing the calculated thickness of liquid film with the available experimental data. Special attention was given to quantitative analysis of the effects of gravity on the hy- drodynamics. Fluctuations in the liquid mass flow rate and the calculated pressure drop loss were found to be quali- tatively in agreement with the experimental observations.     

采用CFD模拟装备标准透平桨或45°-斜向上桨搅拌反应器内部流体力学特性

The hydrodynamic characteristics generated by the standard Rushton or 45°-upward pitched- blade-turbine (PBT) impellers in a baffled reactor are numerically simulated for different off-bottom clearances (C = 1/3Hand 1/2H) and agitator speeds (100, 150, 200, 250 and 300r.min-1) by using FLUENT code (Version 5.4). Theresults are compared with the experimental and simulated data in the published papers and good agreement isobserved. The shapes of the profile of mean velocities seem independent to the speed of agitators under theexperimental conditions (100-300 r.min-1).     

湍流促进器强化微滤过程的实验与CFD模拟研究(英文)

This paper reports experimental and computational fluid dynamics(CFD) studies on the performance of microfiltration enhanced by a helical screw insert.The experimental results show that the use of turbulence pro-moter can improve the permeate flux of membrane in the crossflow microfiltration of calcium carbonate suspension,and flux improvement efficiency is strongly influenced by operation conditions.The energy consumption analysis indicates that the enhanced membrane system is more energy saving at higher feed concentrations.To explore the intrinsic mechanism of flux enhancement by a helical screw insert,three-dimensional CFD simulation of fluid flow was implemented.It reveals that hydrodynamic characteristics of fluid flow inside the channel are entirely changed by the turbulence promoter.The rotational flow pattern increases the scouring effect on the tube wall,reducing the particle deposition on the membrane surface.The absence of stagnant regions and high wall shear stress are respon-sible for the enhanced filtration performance.No secondary flow is generated in the channel,owing to the streamline shape of helical screw insert,so that the enhanced performance is achieved at relatively low energy consumption.     

搅拌釜内固-液悬浮体系的CFD-DEM模拟(英文)

Computational fluid dynamics-discrete element method （CFD-DEM） coupled approach was employed to simulate the solid suspension behavior in a Rushton stirred tank with consideration of transitional and rotational motions of millions of particles with complex interactions with liquid and the rotating impeller. The simulations were satisfactorily validated with experimental data in literature in terms of measured particle velocities in the tank. Influences of operating conditions and physical properties of particles （i.e., particle diameter and density） on the two-phase flow field in the stirred tank involving particle distribution, particle velocity and vortex were studied. The wide distribution of particle angular velocity ranging from 0 to 105 r·min-1 is revealed. The Magnus force is comparable to the drag force during the particle movement in the tank. The strong particle rotation will generate extra shear force on the particles so that the particle morphology may be affected, especially in the bio-/polymer-product related processes. It can be concluded that the CFD-DEM coupled approach provides a theoretical way to under-stand the physics of particle movement in micro-to macro-scales in the solid suspension of a stirred tank.     

用数值模拟方法分析混合和导流筒对搅拌槽中沉淀硫酸钡的影响

1 INTRODUCTION Precipitation of sparingly soluble salts is an im- portant operation widely adopted in the production of functional materials, catalyst, protein, pharmaceutical product and pigment. By precipitation, two aqueous streams containing respective reactants are mixed in a precipitator, and the sparingly soluble salt forms as result of chemical reaction if the concentration of produced salt exceeds its solubility. The quality of the final product obtained by precipitation is strong…     

从超音速蒸汽喷嘴到过冷水直接接触冷凝的数值模拟(英文)

The phenomenon of direct-contact condensation,used in steam driven jet injectors,nuclear reactor emergency core cooling systems and direct-contact heat exchangers,was investigated computationally by introducing a thermal equilibrium model for direct-contact condensation of steam in subcooled water.The condensation model presented was a two resistance model which takes care of the heat transfer process on both sides of the interface and uses a variable steam bubble diameter.The injection of supersonic steam jet in subcooled water tank was simulated using the Euler-Euler multiphase flow model of Fluent 6.3 code with the condensation model incorporated. The findings of the computational fluid dynamics(CFD) simulations were compared with the published experimental data and fairly good agreement was observed between the two,thus validating the condensation model.The results of CFD simulations for dimensionless penetration length of steam plume varies from 2.73-7.33,while the condensation heat transfer coefficient varies from 0.75-0.917 MW·(m 2 ·K) -1 for water temperature in the range of 293-343 K.     

基于详细反应机理的甲烷部分氧化制乙炔过程模拟

基于Curran详细反应机理,采用CHEMKIN软件对贫氧条件下的甲烷非催化部分氧化过程进行了模拟. 在预热温度为873 K、氧气/甲烷摩尔比为0.55的工业反应器操作条件下,模拟得到的最大乙炔浓度为7.6%(mol),与工业数据相符. 分析了操作参数对自燃诱导时间和产物浓度的影响. 结果表明,当预热温度为823 K时,最大乙炔浓度为7.8%(mol);1023 K时为8.4%(mol). 乙炔浓度在达到最大值后快速下降,因此必须在最大值时通过淬冷等措施及时终止反应以获得最大乙炔收率.     

多孔介质内H2S超绝热燃烧制氢的数值模拟

为探索H₂S在多孔介质内超绝热燃烧裂解制硫制氢的机理,采用计算流体力学(CFD)与CHEMKIN相结合的方法,使用标准k-ε湍流模型和一个17组分、57步复杂化学反应机理,模拟了H₂S在直径为3 mm的Al₂O₃圆球堆积成的多孔介质内的燃烧,模拟结果与实验数据基本吻合.模拟结果显示：多孔介质内H₂S的燃烧温度超过了绝热燃烧温度,为H₂S的裂解制硫制氢提供高温环境,富燃条件下H₂S部分地裂解生成单质硫和氢气.另外,对采用的复杂化学反应机理是否适用于多孔介质内H₂S燃烧时各向异性火焰的模拟作了有意义的探索.     

非对称陶瓷膜管渗透性能的CFD模拟研究

陶瓷膜因其化学稳定性好、机械强度大等优点得到广泛应用。计算流体力学(CFD)的快速发展使得计算模拟成为研究和优化陶瓷膜管结构性能的有效手段。为了优化非对称结构陶瓷膜管的结构和操作参数,对其渗透性能进行了CFD计算模拟。针对非对称结构陶瓷膜管的膜层和过渡层的厚度在10 μm级的特点,采用Navier-Stokes方程和Darcy定律来分别描述膜管内和膜多孔介质内的纯水流动,利用多孔介质模型描述膜管的主体支撑层,用多孔跳跃边界简化膜管的膜层和过渡层,利用Konzey-Carmen方程对膜元件各层的渗透率进行估算。计算结果与实验值吻合较好,为优化陶瓷膜管的通道结构提供了便捷的工具。     

喷旋管道式分解炉内燃烧、分解过程的CFD模拟

针对水泥分解炉内煤粉燃烧、生料颗粒分解过程共存的特点,提出了相应的计算模型与方法,以CFX4为基础,采用用户软件,二次开发出模拟该现象的工程计算软件,并以工业化中实际使用的5 500 t/d的喷旋管道分解炉为对象,计算分析了炉内的煤粉燃烧、生料分解率在空间上的变化规律,探讨了炉内的湍流速度场及高温火焰燃烧区域、空气组分、颗粒体积浓度等的空间分布特征,指出了进一步优化的方向。     

柱式膜组件结构的CFD优化设计

采用Euler模型与多孔介质模型对不同结构的柱式膜组件内的流体流动进行了计算模拟。研究了曝气孔数目（开孔率为1.92%保持不变）与膜组件高度对膜组件膜丝填充区域内的气液两相分布、壁面剪应力、湍流黏度以及液相速度场的影响。计算模拟数据与实验结果吻合良好。计算模拟表明：通过减小曝气孔直径,增加曝气孔数目的方式能够促进气液两相流场与液相速度场的均匀分布,以及壁面剪应力与湍流黏度的增强;增加膜组件的高度,有利于增加单支膜组件膜面积的同时充分利用曝气擦洗过程中气液两相流对膜丝壁面进行高效的气擦洗。综合考虑膜组件的安装运输、膜丝通量分布以及能耗等因素,对于直径250 mm的膜组件采用曝气孔的直径为6.32 mm,数目为30个,长度在2~2.5 m之间为最优。     

CFD modelling of oxy-coal combustion in an entrained flow reactor

Oxy-fuel combustion is seen as one of the major options for CO₂ capture for both new and existing coal fired power stations. Coal is burned with a mixture of oxygen and recycled flue gas to obtain a rich CO₂ stream ready for sequestration. Computational fluid dynamics (CFD) tests for coal combustion under different O₂/CO₂ (21-35% vol O₂) atmospheres in an entrained flow reactor (EFR) were carried out using three coals of different volatile matter content. The temperature profiles, burning rates, burnout and concentration of major species, such as O₂, CO₂, CO, were predicted and compared with an air reference case. A decrease in gas temperature and burning rate was observed for 21% O₂/79% CO₂ environment in comparison to the air reference case due to the difference in gas properties between N₂ and CO₂. Experimental coal burnouts obtained in the EFR, were used to test the accuracy of the CFD model. The numerical results showed a decrease in coal burnout when N₂ was replaced by CO₂ for the same oxygen concentration (21%), but an improvement in the O₂/CO₂ atmosphere for an oxygen concentration higher than 30%. The numerical results for oxy-coal combustion were in good agreement with the experimental results.     

往复热循环多孔介质“超焓燃烧”特性

对稀薄低热值气体在往复式热循环多孔介质燃烧系统的“超焓燃烧”特性进行了研究。在模型验证的基础上,阐明了系统“超焓燃烧”产生机理,分析了换向半周期、燃气热值、二次风比等工况参数与气固两相的热容比、对流传热系数、光学厚度等物性参数对系统“超焓燃烧”特性的影响,并给出了相应的变化规律;着重指出“超焓燃烧”在燃气热值较低（H₀<3.48）才能产生,且随着燃气热值降低,超焓现象越明显;稳定燃烧时,燃烧效率受各参数影响相对较小,基本保持在非常高的水平,验证了多孔介质燃烧的高效性。     

超绝热燃烧技术在硫化氢分解制氢上的应用

介绍了超绝热燃烧技术的特点及其实现机理,对H2S分解进行了热力学分析,综述了H2S超绝热分解制氢的最新进展。评述了该技术的优越性：在不使用催化剂和外加热源情况下,利用HsS在多孔介质中超绝热部分氧化分解,在脱除H2S的同时可以回收硫和氢,显著降低污染排放。利用该技术可以处理含有毒有害成分的工业废气。     

Optimization of flow in additively manufactured porous columns with graded permeability

Chemical engineering systems often involve a functional porous medium, such as in catalyzed reactive flows, fluid purifiers, and chromatographic separations. Ideally, the flow rates throughout the porous medium are uniform, and all portions of the medium contribute efficiently to its function. The permeability is a property of a porous medium that depends on pore geometry and relates flow rate to pressure drop. Additive manufacturing techniques raise the possibilities that permeability can be arbitrarily specified in three dimensions, and that a broader range of permeabilities can be achieved than by traditional manufacturing methods. Using numerical optimization methods, we show that designs with spatially varying permeability can achieve greater flow uniformity than designs with uniform permeability. We consider geometries involving hemispherical regions that distribute flow, as in many glass chromatography columns. By several measures, significant improvements in flow uniformity can be obtained by modifying permeability only near the inlet and outlet.     

基于多孔介质模型的膜式氧合器内部流场分析

膜式氧合器内部流体运动特性对其性能有重要影响,利用计算流体力学（CFD）对氧合器模型进行流体动力学分析是预测其性能的重要方法之一。本文基于压降实验计算氧合器纤维束的黏性阻力系数,建立了各向同性多孔介质模型。采用RNGk-ε湍流模型对不同流量下氧合器内部流场进行计算,得到了血液速度、压力和壁面剪切应力分布云图。发现随着流量的增加,氧合器内部速度梯度分布形式基本保持不变,压力分布呈倾斜状态且逐渐减小,大部分压力损失位于纤维束内,其中53.3%位于氧合室,42.6%位于变温室。氧合器血液的入口及出口位置为血液损伤的高发区域。采用溶血数值预估模型计算得到了氧合器的标准溶血指数NIH。结果表明：在低流量1.65～3.00L/min下,各向同性多孔介质模型的模拟结果与实验结果基本一致,模拟数值与实验数值的偏差会随着液体流量的增加而变大;流量为1.65～6.00L/min时,标准溶血指数NIH为0.0084～0.0835g/100L,满足人体生理允许的使用范围。     

Absorption of picoliter droplets by thin porous substrates

Absorption of picoliter (pL) droplets into porous substrates is studied experimentally and numerically. In the case of pL droplets, major phenomena involved in the interaction between droplet and porous media develop at different time scales: spreading and wetting at microseconds, absorption and wicking at milliseconds, and evaporation at seconds. Therefore, one can decouple these processes to minimize the complexity of the study. A high‐speed imaging system capable of 1 million frames per second is used to visualize individual droplets impacting, spreading, and imbibing on substrates. To simulate droplet dynamics, the governing equations for flow outside and inside porous media are proposed and solved using an in‐house developed computational fluid dynamics solver. The simulation results are in good agreement with the experimental data. The effect of drop impact velocity and fluid properties on final dot shape in the porous substrates is investigated through a series of parametric numerical studies. © 2016 American Institute of Chemical Engineers AIChE J, 63: 1690–1703, 2017