Computational fluid dynamics-discrete element method simulation of stirred tank reactor for graphene production

Liquid phase exfoliation(LPE)process for graphene production is usually carried out in stirred tank reactor and the interactions between the solvent and the graphite particles are important as to improve the production efficiency.In this paper,these interactions were revealed by computational fluid dynamics–discrete element method(CFD-DEM)method.Based on simulation results,both liquid phase flow hydrodynamics and particle motion behavior have been analyzed,which gave the general information of the multiphase flow behavior inside the stirred tank reactor as to graphene production.By calculating the threshold at the beginning of graphite exfoliation process,the shear force from the slip velocity was determined as the active force.These results can support the optimization of the graphene production process.

An Investigation of Error Sources in Computational Fluid Dynamics Modelling of a Co-current Spray Dryer

The paper is focused on identifying error sources in computational fluid dynamics(CFD) predictions of a spray drying process. Seven groups of drying and atomisation parameters were selected for analysis and 13simulation trials were performed. The theoretical results were compared with experimental data and sensitivity of the simulation results to the analysed factors was determined. The following parameters affecting the accuracy of CFD spray modelling were found: gas turbulence model, particle dispersion, atomising air, initial parameters of atomisation and heat losses to the environment. A major difference in the errors committed during modelling of spray drying process for fine and coarse sprays was observed.

Microfluidic field strategy for enhancement and scale up of liquid-liquid homogeneous chemical processes by optimization of 3D spiral baffle structure

Due to the scale effect, the uniform distribution of reagents in continuous flow reactor becomes bad when the channel is enlarged to tens of millimeters. Microfluidic field strategy was proposed to produce high mixing efficiency in large-scale channel. A 3D spiral baffle structure(3SBS) was designed and optimized to form microfluidic field disturbed by continuous secondary flow in millimeter scale Y-shaped tube mixer(YSTM). Enhancement effect of the 3SBS in liquid-liquid homogeneous chemical processes was verified and evaluated through the combination of simulation and experiment. Compared with 1 mm YSTM, 10 mm YSTM with 3SBS increased the treatment capacity by 100 times, shortened the basic complete mixing time by 0.85 times, which proves the potential of microfluidic field strategy in enhancement and scale-up of liquid-liquid homogeneous chemical process.

Numerical study on the hydrodynamics behavior of a central insert microchannel

In this work, the computational fluid dynamics method is used to study the liquid hydrodynamics behavior in the microchannel without central insert(MC1) and the central insert microchannel(MC2), respectively. The maximum deviation between simulation and experiment is 24%. The formations of flow patterns are explained based on contours and force analysis where the flow pattern maps are established by two-phase flow rate. The effects of aqueous phase viscosity and two-phase flow rate on the characteristic sizes of each flow pattern are also explored. Specifically, four unconventional flow patterns are found in MC2, namely the unique droplet flow, the unique slug flow, the unique coarse annular flow and the unique film annular flow. Though the insert occupies part of the channel, the pressure difference in the channel is significantly reduced compared with MC1. Moreover, the insert significantly changes the formation velocity range of each flow pattern, greatly broadens the formation range of annular flow and also has an important influence on the characteristic size of the flow pattern. The organic-phase dimensionless axial size(Lo/W) and the dimensionless radial size(Do/W) of the droplet(slug) are negatively related to the aqueous-phase viscosity(μa) and flow rate(ua). The Do/W of the annular is negatively correlated with μaand positively correlated with organic-phase flow rate(uo). This study provides direct numerical evidence that the insert is key to the formation of bicontinuous phase flow pattern, as well as further strengthens our understanding of the flow characteristics and optimization design of insert microchannels.

Process Modeling of Ferrofluids Flow for Magnetic Targeting Drug Delivery

Among the proposed techniques for delivering drugs to specific sites within the human body, magnetic targeting drug delivery surpasses due to its non-invasive character and its high targeting efficiency. Although there have been some analyses theoretically for magnetic drug targeting, very few researchers have addressed the hydrodynamic models of magnetic fluids in the blood vessel of human body. This paper presents a mathematical model to describe the hydrodynamics of ferrofluids as drug carriers flowing in a blood vessel under the applied magnetic field. A 3D flow field of magnetic particles in a blood vessel model is numerically simulated in order to further understand clinical application of magnetic targeting drug delivery. Simulation results show that magnetic nanoparticles can be enriched in a target region depending on the applied magnetic field intensity. Magnetic resonance imaging confirms the enrichment of ferrofluids in a desired body tissue of Sprague-Dawley rats. The simulation results coincide with those animal experiments. Results of the analysis provide the important information and can suggest strategies for improving delivery in favor of the clinical application.

焦炭塔建模与数值计算的研究进展

综述焦炭塔的生焦模型、焦炭塔的模拟方法(包括计算流体力学、有限元分析、流程模拟)以及石油焦化过程的反应动力学研究进展,指出验证反应动力学模型的普适性,发展动态混合模拟方法,开发石油焦化工艺模型是焦炭塔建模与数值计算的发展方向。

Multi-phase computer modeling and laboratory study of dust capture by an inertial Vortecone scrubber

Dust generated in mining and tunneling activities is hazardous to health of persons and safety of operations. These projects employ pick-milling machines to extract minerals and rock by mechanical breakage.The machines are equipped with flooded-bed scrubbers that encase dust particles within fine water films as particles encounter a flooded wire-mesh screen. A major disadvantage is that the screen gets clogged when particles become trapped within the wire mesh, reducing airflow through the scrubber and increasing ambient dust concentrations. Thus, the system requires frequent maintenance or replacement. The application of a Vortecone scrubber as an improved alternative to conventional fibrous type scrubbers is investigated. A Vortecone forces dust-laden air and water to follow a complex, rapidly swirling motion.The momentum drives dust particles towards the periphery where they are captured by the water film.The operating characteristics of a reduced-scale physical model of a Vortecone, with its primary axis mounted in the horizontal orientation, was analyzed numerically and experimentally. Computational fluid dynamics(CFD) models depicting the spraying action and multi-phase air/water flows using the volume of fraction(VOF) approach, are presented. Experimental results, utilizing an optical particle counting technique to establish the dust-cleaning capabilities of the model, are also described.

旁路放风问题分析及解决措施

鉴于旁路放风系统存在旁路灰量过大,以及旁路灰中氯离子浓度偏低、熟料中氯离子超标、协同处置固废量不达标等问题,通过对设计数据与运行参数的综合分析,并结合热工标定、工艺计算、流场分析、物料检测,确定了问题的症结所在,并出具了调整方案。

Reaction technique in ladle metallurgy

Process models are very useful to control high efficient industrial metallurgical processes.However their accuracy depends strongly on the choice of boundary conditions and thermodynamic as well as kinetic data used. Whereas the commercial data base FactSage or Thermocalc is used as the source of thermodynamic data the kinetic parameter are characteristic for each process and process design.Therefore it is essential to estimate the kinetic parameter in well designed experiments supported by using of numerical methods. In this paper the steel melt flow parameter,gas-melt interfacial area and mass transfer coefficient obtained in 30t industrial gas stirred ladles are described.On the example of nitrogen absorption and desorption the predictive process model for nitrogen control while ladle treatment and decarburisation process is presented for different steel alloys.The modelling results are compared with results from industrial processes.

考虑扁管换热的平行流蒸发器制冷剂两相分配特性

考虑换热扁管中制冷剂的相变过程,采用SST(shear stress transm ission)k⁃ω湍流模型和Eulerian-Eulerian两相流模型对平行流蒸发器内的制冷剂两相分配特性进行研究。发现制冷剂质量流量和入口干度的增加均会导致制冷剂分配均匀性下降:当制冷剂质量流量从15g·s^(-1)增加到25 g·s^(-1),入口干度从0增加到0.3时,总流量分配不均匀指标分别升高39.4%和50.8%。适当增加出口集管内径和蒸发器长宽比有利于改善制冷剂分配的均匀性:出口集管内径增加一倍,总流量分配不均匀指标降低41.8%;长宽比从1.005增大到1.455,制冷剂分配不均匀指标降低21.6%。

双平行平面射流与环境流基元反应特性研究

为揭示双射流与环境流之间流动-化学反应耦合过程的标量输运机理,采用大涡模拟方法对具有二级非平衡基元反应(A+B→R)的双射流与环境流反应工况进行了研究,达姆科勒数Da为1且雷诺数为2000。首先通过对反应性单射流进行数值模拟,将平均流向速度和平均混合浓度分数等统计量与现有方法结果进行对比,验证了数值方法的准确性;其次,基于化学反应标量输运方程研究了反应性双射流流动-化学反应耦合过程中的标量输运和化学反应特性。结果表明:流场上游湍流/非湍流界面(T/NTI)附近存在1个急剧消耗环境流中反应物B的区域,T/NTI的卷吸过程深刻影响着化学反应;化学反应主要发生在流场上游,T/NTI附近某一时刻产物R的非稳态变化几乎由化学反应产生和对流输运过程决定,而流场下游湍流区域某一时刻产物R的非稳态变化主要取决于对流作用;统计平均下,在6<x/d<20范围内,流场流向对流作用和法向对流作用对产物R的输运收支平衡。

非力学专业“计算流体力学”课程改革与实践

针对“计算流体力学”课程难度大、学员基础薄弱等问题,从教学目标、教学内容、教学方法、考核评价等方面开展了课程改革与建设。聚焦学员基础和学习需求,优化教学目标和教学内容,帮助学员完善知识体系。结合自建慕课教学视频,基于Uclass教学平台开展线上线下混合式教学,辅助学员开展自学,拓展学员学习的时间和空间。精心设计案例研讨内容,帮助学员理论结合实践。建设课程案例和习题资源,通过形成性考核和终结性考核激励引导学员有的放矢,掌握基础理论知识。实践表明,通过教学改革完善了学员的知识体系,提升了学员的学习体验和学习效果,提高了学员利用计算流体力学工具解决流体力学问题的能力。

A systematic printability study of direct ink writing towards high-resolution rapid manufacturing

Direct ink writing(DIW)holds enormous potential in fabricating multiscale and multi-functional architectures by virtue of its wide range of printable materials,simple operation,and ease of rapid prototyping.Although it is well known that ink rheology and processing parameters have a direct impact on the resolution and shape of the printed objects,the underlying mechanisms of these key factors on the printability and quality of DIW technique remain poorly understood.To tackle this issue,we systematically analyzed the printability and quality through extrusion mechanism modeling and experimental validating.Hybrid non-Newtonian fluid inks were first prepared,and their rheological properties were measured.Then,finite element analysis of the whole DIW process was conducted to reveal the flow dynamics of these inks.The obtained optimal process parameters(ink rheology,applied pressure,printing speed,etc)were also validated by experiments where high-resolution(<100μm)patterns were fabricated rapidly(>70 mm s^(-1)).Finally,as a process research demonstration,we printed a series of microstructures and circuit systems with hybrid inks and silver inks,showing the suitability of the printable process parameters.This study provides a strong quantitative illustration of the use of DIW for the high-speed preparation of high-resolution,high-precision samples.

基于三维非等温多相模型的质子交换膜燃料电池局部传质机理

为使质子交换膜燃料电池(PEMFC)内部的电极反应物和电极产物有一个更加稳定与均衡的分布,在燃料电池传统阴极蛇形流道的基础上,对其U形转弯入口及出口处进行渐缩渐扩处理,使流道U形转弯处侧壁形成一定角度的坡面,并建立了缩放坡面流道的单电池三维数值模型。对比研究了不同几何参数对流道内液态水动力学行为、排水效率、反应气体质量分数、电池最大功率密度的影响,结果表明坡面结构在一定程度上引导了液滴的流动路径,使流道底面的气体扩散层(GDL)附近气流扰动增强,氧质量分数和电流密度分布更加均匀,最大功率密度得到了明显提高,整体上提高了PEMFC内部的传质能力。

VERIFICATION OF SMOM AND QMOM POPULATION BALANCE MODELING IN CFD CODE USING ANALYTICAL SOLUTIONS FOR BATCH PARTICULATE PROCESSES

For many processes of industrial significance, due to the strong coupling between particle interactions and fluid dynamics, the population balance must be solved as part of a computational fluid dynamics (CFD) simulation. In this work, a CFD based population balance model is tested using a batch crystallization reactor. In this CFD model, the population balance is solved by the standard method of moments (SMOM) and the quadrature method of moments (QMOM). The results of these simulations are compared to analytical solutions for the population balance in a batch tank where 1) nucleation, 2) growth, 3) aggregation, and 4) breakage are taking place separately. The results of these com- parisons show that the first 6 moments of the population balance are accurately predicted for nucleation, growth, ag- gregation and breakage at all times.

带子瘤颅内动脉瘤的二维血流动力学数值模拟分析

目的探讨带子瘤的颅内动脉瘤的血流动力学特点。方法结合DSA二维图像,采用计算流体力学(CFD)有限元方法的软件,对2例(动脉瘤A、B)带子瘤颅内动脉瘤的血流动力学行数值模拟,对其数据进行统计学分析。结果①血流流速:动脉瘤载瘤动脉内平均流速为(0.135±0.060)m/s,动脉瘤内流速为(0.018±0.012)m/s(t=8.458,P=0.000);颅内动脉瘤母瘤及子瘤内均形成低速涡流,心动周期T=0.2s时动脉瘤A、B均流速最高。②动压及壁面切应力变化:动脉瘤载瘤动脉平均动压为(12.9±14.1)Pa,壁面切应力平均为(0.87±0.77)Pa;动脉瘤内动压为(1.6±1.8)Pa,壁面切应力(0.24±0.23)Pa,载瘤动脉及动脉瘤动压及壁面切应力相比,差异有统计学意义(t=3.153,P=0.009;t=4.001,P=0.004)。血流流入动脉瘤瘤体后,动压及壁面切应力迅速下降,至动脉瘤顶部时切应力降至最低。相对于动脉瘤的其他区域,瘤颈处的动压及壁面切应力最高(P<0.05)。相对于其他心动周期,T=0.2s时,动脉瘤内动压、壁面切应力最高(P<0.05)。动脉瘤内动压及壁面切应力变化与血流流速变化相一致,呈正相关(r=0.895,P=0.000;r=0.663,P=0.000)。子瘤与母瘤的移行处未见壁面切应力的升高。结论带子瘤的颅内动脉瘤血流动力学特性符合一般颅内动脉瘤的血流动力学特性,未发现有明显致其形成、生长、破裂的特殊血流动力学因素。

梭式止回阀开启过程的数值模拟

为了研究梭式止回阀在高压差条件下启闭时阀瓣的运动特性以及阀内可能出现的气穴现象,采用计算流体力学(CFD)方法,建立梭式止回阀阀瓣运动方程和流场气穴模型,并通过动网格技术和用户自定义程序,对梭式止回阀开启过程中阀内速度场、压力场、气穴分布和阀瓣运动特性进行了数值仿真,仿真结果以可视的图形图像形式给出.数值模拟研究表明:梭式止回阀在开启过程中,流体主要沿阀壁流动,阀体中间部位则出现回流;在阀内有涡流存在,在涡流的涡心位置流体流速小、压力低,易产生气穴;气穴的产生和发展与进出口压力大小和阀瓣开度等密切相关,气穴易引起阀内流场的不稳定.阀瓣在压差作用下的运动特性为阀瓣首先开启到一极大开度,并逐渐以波动的形式回归到一稳定的开度,阀瓣在运动到稳定开度附近时速度最大.模拟研究结果可以为梭式止回阀结构参数的设计和优化等提供参考.

搅拌槽内黏性流体流动的DPIV测量与CFD模拟

Mixing, achieved mostly by mechanically stirring, is one of the most important unit operation processes in chemical and related industries. The problem of design and scale-up of stirred tanks has been tackled mainly by means of semi-empirical methods.Measurement and numerical simulation of viscous fluid in a stirred tank is still unsufficient and further development is needed.In this paper, computational fluid dynamics (CFD) simulation and digital particle image velocimetry (DPIV) measurement have been carried out to study the flow field of viscous fluid in a stirred tank agitated by a four-blade Ruston turbine.The working medium is a mixture of water and glycerine with various concentrations.The results show the mean velocity, turbulent energy, vorticity and circle flux of the fluids as well as the change of flow patterns with the fluid viscosity.CFD code of CFX with sliding grids was used to simulate the flow field.The k-ε model and laminar model was selected as the models of simulation.The CFD simulations were compared with the experimental DPIV data.The result shows that the CFD simulations can reflect the flow of the viscous fluid in a stirred tank.

卧式搅拌槽内流体混合的实验与模拟研究

对卧式单轴格子桨搅拌槽中的流体混合过程进行了实验和模拟研究;采用碘和硫代硫酸钠褪色法实验考察了不同搅拌转速时的混合特性,由数码相机记录了混合过程的快照;采用计算流体力学方法对于混合时间进行两步法模拟,先计算稳态流场,然后在此稳态流场的基础上采用加入浓度标量的方法计算示踪剂扩散情况。混合过程的模拟结果与实验数据吻合良好。