Is Coefficient of Variation a Realistic Index for Characterizing Mixing Efficiency in Ozone Applications?

ABSTRACT

The coefficient of variation (COV) of ozone residual is often used to compare the mixing performance of different ozone contacting systems. Multiphase mass transfer CFD modeling is performed and compared with experimental data to investigate the correlation between mass transfer efficiency, a corresponding full cross-sectional spatial COV, a corresponding “grab sample” temporal COV, and a comprehensive uniformity index for mixing for varying sidestream ozone doses. Typical sampling methodology for ozone residual is reviewed and general guidelines for better representative sampling are suggested.     

The Role of Mixing in Ozone Dissolution Systems

The mixing efficiency of four alternative ozone dissolution systems, including conventional bubble diffusion and pipeline injection/diffusion reactors, were compared by measuring the variability of ozone residual measurements at the outlet of each reactor. The standard deviation and coefficient of variation of a time series of residual measurements were used to provide a quantitative measure of the level of mixing in the reactor. The results indicate that properly designed pipeline dissolution systems provide significantly improved mixing over oxygen-fed or air-fed bubble diffusion systems. Minimum mixing criteria for bubble diffusion systems cited in the literature may underestimate the level of mixing required to achieve stable ozone residuals downstream of the dissolution chamber of conventional bubble diffusion chambers.     

Pipeline Contactor Design and Retrofit Fundamentals

Utilities with existing air system and aging ozone generating equipment are considering replacing generators capable of producing 1 to 2% ozone in air with those capable of producing ozone at 12% in oxygen. However, higher ozone weight percentage results in lower gas flow, issues with gas flow control, poorer mixing in the transfer cell of a conventional contactor, and oversized ozone destruct blowers, thereby requiring redesign of several subsystems within the ozone process. This document describes three retrofit experiences with installing (1) high concentration ozone generating equipment on a system formerly designed for air, (2) a sidestream injection system in an existing pipeline, and (3) a new pipeline contactor.     

A review on computational fluid dynamic simulation for rotating packed beds

A rotating packed bed (RPB) is one of the cutting-edge process intensification technologies due to its high mass transfer and mixing efficiency. Nevertheless, owing to the complex structure and hydrodynamic characteristics of RPBs, valuable data inside the reactor is hard to obtain by conventional experimental methods. Computational fluid dynamics (CFD) owing to its unique advantages of low cost, completeness of data and ability to simulate real and ideal conditions, has been adopted by many researchers to carry out fundamental research and practical application of RPBs in recent years. This paper therefore elaborates on the research progress on CFD simulation of RPBs. The building of a physical model of these reactors as well as selection of mathematical models are described, then applicability and accuracy of these models are compared and discussed. Simulation results for gas and multiphase flow in reactors are also presented. Additionally, the application of CFD to mixing and mass transfer between phases and processes in rotating packed beds is introduced. Optimum designs of reactors by the CFD method are also described. Finally, problems remaining with CFD simulation of rotating packed beds and future development directions are discussed. © 2018 Society of Chemical Industry     

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.     

Efficiencies of Sieve Tray Distillation Columns by CFD Simulation

A 3‐D two‐fluid CFD model in the Eulerian‐Eulerian framework was developed to predict the hydrodynamics and heat and mass transfer of sieve trays. Interaction between the two phases occurs via interphase momentum and heat and mass transfer. The tray geometries are based on the large rectangular tray of Dribika and Biddulph and FRI commercial‐scale sieve tray of Yanagi and Sakata. In this work a CFD simulation is developed to give predictions of the fluid flow patterns, hydraulics, and mass transfer efficiency of distillation sieve trays including a downcomer. The main objective has been to find the extent to which CFD can be used as a design and prediction tool for real behavior, concentration and temperature distributions, and efficiencies of industrial trays. Despite the use of simple correlations for closure models, the efficiencies obtained are very close to experimental data. The results show that values of point efficiency vary with position on the tray because of variation of affecting parameters, such as velocities, temperature and concentration gradients, and interfacial area. The simulation results show that CFD can be used as a powerful tool in tray design and analysis, and can be considered as a new approach for efficiency calculations and as a new tool for testing mixing models in both phases. CFD can be used as a “virtual experiment” to simulate tray behavior under operating conditions.     

CFD数值模拟在柠檬酸发酵罐搅拌系统设计过程中的应用

采用CFD(computational fluid dynamics)数值模拟对600 m3柠檬酸发酵罐搅拌系统设计方案进行分析,结合柠檬酸发酵工艺,综合考虑搅拌轴功率、流型、传质混合能力,提出了2种设计方案,并对其进行了数值模拟及传质混合能力分析,通过对比确定最优方案。     

填料塔基础理论研究新进展

规整填料塔具有效率高、压降低、放大效应不明显等优点,其成功应用有赖于对二相流动与传质的深入认识。文中综述了规整填料塔内的气液二相流动与分布、返混、气液二相在常压和高压下的传质特性、M arangon i效应以及计算流体力学(CFD)在规整填料塔中的应用等方面的国内外研究进展。填料塔内液体的分布与返混的研究较多,气相的流动分布与返混特性的研究较少,高压传质、M arangon i效应,特别是利用计算流体力学(CFD)模拟填料塔内的液体流动与传质等已逐渐成为研究的热点。     

A generalized zoning framework for development of CFD-based reduced-order compartment models

While computational fluid dynamics (CFD)-based compartment models have gained popularity as a cost-effective alternative to full CFD modeling of complex mixing systems, model development involves significant trial-and-error efforts. This work presents a generalized zoning framework for the streamlined development of CFD-based compartment models with detailed characterization of the reduced-order representation of the flow physics. With a stirred tank as an illustrative case, reduced-order model for species transport and heat transfer with turbulent flow is derived, followed by introducing the generalized zoning framework to demonstrate how a reduced-order compartment model can be constructed based on a simplified CFD simulation. A test case of mixing two miscible thermal fluids is used to evaluate the CFD-based compartment model. The results demonstrate that the proposed zoning framework exhibits an accurate representation of the CFD simulation of hydrodynamics and demonstrates capabilities of capturing species and heat transfer in turbulent flow systems with complex geometric configurations.     

A multiscale mass transfer model for gas-solid riser flows: Part II—Sub-grid simulation of ozone decomposition

This article is to test the EMMS-based multiscale mass transfer model through computational fluid dynamics (CFD) simulation of ozone decomposition in a circulating fluidized bed (CFB) reactor. Three modeling approaches, namely types A, B and C, are classified according to their drag coefficient closure and mass transfer equations. Simulation results show that the routine approach (type C) with assumption of homogeneous flow and concentration overestimates the ozone conversion rate, introduction of structure-dependent drag force will improve the model prediction (type B), while the best fit to experimental data is obtained by the multiscale mass transfer approach (type A), which takes into account the sub-grid heterogeneity of both flow and concentration. In general, multiscale behavior of mass transfer is more distinct especially for the dense riser flow. The fair agreement between our new model with literature data suggests a fresh paradigm for the CFB related reaction simulation.     

CFD based extraction column design——Chances and challenges

This paper shows that one-dimensional (1-D) [and three-dimensional (3-D) computational fluid dynamics (CFD)] simulations can replace the state-of-the-art usage of pseudo-homogeneous dispersion or back mixing models. This is based on standardized lab-scale cel experiments for the determination of droplet rise, breakage, coalescence and mass transfer parameters in addition to a limited number of additional mini-plant experiments with original fluids. Alternatively, the hydrodynamic parameters can also be derived using more sophisticated 3-D CFD simulations. Computational 1-D modeling served as a basis to replace pilot-plant experiments in any column geometry. The combination of 3-D CFD simulations with droplet population balance models (DPBM) increased the accuracy of the hydrodynamic simulations and gave information about the local droplet size. The high computational costs can be reduced by open source CFD codes when using a flexible mesh generation. First combined simulations using a three way coupled CFD/DPBM/mass-transfer solver pave the way for a safer design of industrial-sized columns, where no correlations are available.     

臭氧在对硝基苯酚溶液中的吸收与模拟过程

研究了鼓泡塔中臭氧在对硝基苯酚溶液中的吸收传质过程。首先探讨了pH值和气速对对硝基苯酚降解速率的影响。在 298K下,臭氧被连续通入对硝基苯酚溶液中,臭氧的传质速率因为溶解臭氧与对硝基苯酚的快速反应而大大加强。然后运用与实验条件相同的操作参数,进行了臭氧在鼓泡塔中吸收过程的模拟研究,采用MATLAB软件求解吸收过程的质量平衡方程,模拟了吸收过程中臭氧和对硝基苯酚浓度的变化,并与实验值进行了比较。结果表明,在短的鼓泡塔中,应用全混流模型来描述气相和液相的流体状态是可行的,在 80%的对硝基苯酚降解之前,模拟值和实验值能很好地一致。     

A multiscale mass transfer model for gas-solid riser flows: Part 1 — Sub-grid model and simple tests

The gas-solid mass transfer in circulating fluidized bed (CFB) riser flow is both structure-dependent and dynamic in nature. Recent progress in multiscale computational fluid dynamics (CFD) allows fresh insight into the dynamic flow structure, yet its influence on the mass transfer remains to be settled. To this end, a multiscale mass transfer model is established in this paper based on the extended framework of the energy-minimization multiscale (EMMS) model. The relevant algorithm named EMMS/mass is proposed for CFD-coupled mass transfer computation. Two testing cases accounting for sublimation of naphthalene and decomposition of ozone, respectively, are presented to demonstrate the characters of the model. It is shown that structural consideration can have significant effects on the model prediction. The normally used Reynolds number is not adequate to characterize these effects, while the combination of gas velocity and solids flux seems to capture the structural effects and allows to explain the variation of Sherwood number reported for CFB risers in the literature. Sub-grid coupling of this multiscale mass transfer model and CFD approach can be expected to provide a promising tool to probe the dynamic and structure-dependent nature of mass transfer in CFB risers.     

Experimental and Numerical Study of Gas-Liquid Flow in a Sectionalized External-Loop Airlift Reactor

The external loop airlift reactor(EL-ALR) is widely used for gas-liquid reactions. It's advantage of good heat and mass transfer rates compared to conventional bubble column reactors. In the case of fermentation application where a medium is highly viscous and coalescing in nature, internal in riser helps in the improvement of the interfacial area as well as in the reduction of liquid-phase back mixing. The computational fluid dynamic(CFD) as a tool is used to design and scale-up of sectionalized external loop airlift reactor. The present work deals with computational fluid dynamics(CFD) techniques and experimental measurement of a gas hold-up, liquid circulation velocity, liquid axial velocity, Sauter mean bubble diameter over a broad range of superficial gas velocity 0.0024≤U_G≤0.0168 m·s~(-1). The correlation has been made for bubble size distribution with specific power consumption for different plate configurations. The effects of an internal on different mass transfer models have been completed to assess their suitability.The predicted local mass transfer coefficient has been found higher in the sectionalized external loop airlift reactor than the conventional EL-ALR.     

A hybrid CFD—reaction engineering framework for multiphase reactor modelling: basic concept and application to bubble column reactors

The coupling of turbulent mixing and chemical phenomena lies at the heart of multiphase reaction engineering, but direct CFD approaches are usually confronted with excessive computational demands. In this hybrid approach, the quantification of mixing is accomplished through averaging the flow and concentration profiles resulting from a CFD flow field calculation and a computational (“virtual”) tracer experiment. Based on these results, we construct a mapping of the CFD grid into a generalised compartmental model where the chemistry calculations can be efficiently carried out. In contrast to the empirical models used in the residence time distribution (RTD) approach, the compartmental model in this methodology, owning to its CFD origins, retains the essential features of the equipment geometry and flow field. A procedure for extracting the mixing information from k-ε based CFD codes is outlined, but the main concept of the approach is not restricted to any particular type of turbulence modelling, and will therefore benefit from future developments. A phenomenological model of mass transfer and chemical reaction, based on the penetration theory, is employed to simulate the interfacial phenomena in gas-liquid reactors, and a study of CO₂ absorption into alkali solution is presented to demonstrate the method.     

摇床T25细胞培养瓶流体力学与传质特性研究

细胞培养技术是生物医药产业的支柱,以实现微小体积内的高密度、高通量细胞培养为目的,系统地研究了常用于单层静态培养的T25方瓶置于翘板摇床上在不同操作条件下的流体力学特性和传质性能。结果表明,振荡可以显著提高方瓶的传质速率并降低混合时间,使高密度培养成为可能,但瓶盖上的空气滤膜在高转速时成为传质速率的限制因素;培养瓶对称轴与摇床旋转轴平行时,其相对位置对混合和传质无明显影响,但当二者成45°角时,相同转速下混合时间显著缩短;使用自定义函数实现了基于动态网格的CFD模拟,对不同转速下方瓶内剪切应力和能量耗散在时间与空间上分布进行了分析,为基于T25培养瓶开发一次性高通量微型反应器提供了数据支持和理论基础。     

对二甲苯氧化反应器内置导流筒的性能研究

利用CFD技术,模拟高径比为1.5的PX氧化双层搅拌桨反应器增设导流筒的混合特性,得出:反应器内内置适当型式的开槽导流筒,可以限制气体的循环路径,延长气体的停留时间,增强气体的再循环,改善气体和传质系数分布状况。进一步实验研究表明,安装导流筒之后,气含率、传质系数可以提高10%~30%。     

新型转盘萃取塔研究开发与工业应用

采用激光多普勒测速仪(LDV)和计算流体力学(CFD)软件,对转盘萃取塔(RDC)内的单相流流场进行了测量和模拟。发现塔内存在沟流和级间的旋涡流动,级间返混严重,为此发明了一种装有级间转动挡板的新型转盘萃取塔(NRDC)。NRDC与传统的RDC的区别在于安装了设计独特的转动挡板。这些转动挡板安装在2个转盘之间,固定在转动轴上,并与固定环处于同一水平面。LDV测量和CFD模拟结果发现,NRDC可有效抑制沟流和级间旋涡流动。传质实验和流体力学表明,NRDC的传质效率比RDC高20%—40%,而液泛速度大致相当。成功地将NRDC用于引进RDC的扩能改造和新塔的设计中。     

Hydrodynamic Characterization and Mass Transfer Analysis of an In-Line Multi-Jets Ozone Contactor

This research study investigates mixing and ozone mass transfer characteristics of a pilot-scale in-line multi-jets ozone contacting system. The hydrodynamic characteristics of the contactor were studied using a two-dimensional laser flow map particle image velocimetry coupled with planar laser induced fluorescence (PIV/PLIF). The PIV/PLIF system provided a combination of simultaneous whole-field velocity and concentration data in two-phase flows for different operating conditions. All measurements were conducted under a total liquid flow rate of about 10 L/s with gas flow rate ranging from 0.05 to 0.4 L/s. The gas was introduced to the system through a series of side stream injectors. The side injectors were tested under opposing and alternating modes. A mass transfer study was also conducted to estimate the overall mass transfer coefficient under the same operational conditions used for the hydrodynamics study. It was found that for the same number of jets (i.e., same gas flow rate) the liquid dispersion (D_L) was higher when alternating jets were used. Higher ozone mass transfer rates were observed when using opposing jet compared to the same number of alternating jets.     

Interphase mass transfer in a gas fluidized bed

Mass transfer rates have been measured for bubbles containing ozone injected into an air-fluidized two-dimensional bed of particles. The overall mass transfer coefficient, corrected for unsteady bubble growth effects and with entrance effects eliminated, lies between predictions of models which assume that throughflow and diffusion are both additive and rate-controlling and those models which assume that mass transfer is governed by diffusion at the cloud boundary. The experimental value is consistent with a model which bases mass transfer purely on the throughflow predicted by Murray. Failure to account for bubble growth leads to drastic overestimation of the mass transfer coefficient.