内循环气升式环流反应器生物降解苯酚废水过程的计算传质学模拟研究

利用计算传质学方法对内循环气升式环流反应器（ILALR）内生物降解苯酚废水过程进行了研究。采用欧拉多相流模型结合RNG k-ε湍流模型对ILALR中气-液两相流动过程进行模拟,采用气泡群平衡模型（PBM）对反应器内气泡的尺寸分布进行预测。利用近年来提出的计算传质学\overline{c^{\mathrm{2}}}-ε_c模型对湍流扩散系数进行计算,从而摆脱了传统需要预估湍流Schmidt数的经验方法。模拟得到的液相苯酚和菌体浓度与实验测量值吻合良好,从而证明了所建立模型的有效性。研究结果表明ILALR内湍流传质过程中湍流扩散系数及湍流Schmidt数并非常数,因此基于传递相似性假设得到的湍流Schmidt数经验模型不适用于ILALR内湍流传质过程的模拟。模拟得到的ILALR中液相剪应力随表观气速的增大而增大,局部最大值出现在导流筒的上部。     

一种氨水垂直降膜吸收传质模型

在Harriott理论的基础上,提出一种新的垂直降膜吸收传质模型,将降膜过程中漩涡的作用点由一个几何点扩展到一个区域,将整个降膜流动过程划分为非湍流区和全湍流区.非湍流区内,波峰和波谷域采取了不同的Levich厚度处理方法.在全湍流区,对波动速度进行了修正.理论数据与氨水光管降膜吸收实验数据相比较,偏差在非湍流区不超过10%,在全湍流区不超过15%.扩散系数、Levich厚度及波动周期对传质系数的影响被表示为两个量纲1量之间的关系.     

强制气流作用下溶液蒸发过程的传质规律

针对强制气流作用下溶液的蒸发过程,在分析气液相间力学特性的基础上,根据Levich涡流衰减理论和边界层理论,将气流流动状态与相间传质结合,研究了湍流气流横掠液面过程中气液相间的传质变化规律,分析了雷诺数、气流流道结构及普朗特混合长度对传质的影响,得到了气液相间的湍流质扩散系数的变化规律,湍流气流横掠液面条件下的对流传质准则数Sh=0.221Sc1/3Rex1/2. 结果表明,湍流扩散系数、传质系数与气流的流动状态密切相关,气流流道结构对气液相间的传质有重要影响.     

自由界面气液传质系数的旋涡作用模型

在单涡模型的基础上 ,根据各向同性湍流的能谱函数 ,考虑不同尺度的旋涡对气液传质的影响 ,建立了气液自由界面传质系数模型 .模型计算结果与管道流及搅拌反应釜的实验结果吻合较好.     

脉冲筛板萃取柱中传质过程的研究

在内径40mm实验脉冲筛板柱中,用30%磷酸三丁酯-硝酸-水体系测定了各种操作条件下两相稳态传质浓度剖面、液滴直径分布和分散相体积分数.根据多级返流模型拟合实际浓度剖面推算得到真实的体积传质系数K_(oDa)和两相返混参数,并进而计算出相际传质系数K_(oD).对标准板和分散-聚合型板两种柱结构内的传质过程进行了分析和讨论.研究结果表明,在本实验范围内,脉冲筛板柱内相际传质系数可按单液滴湍流内循环传质模型来预测.     

高湿度工业废气冷凝脱湿模型研究与数值模拟

针对高湿度工业废气冷凝脱湿进行模型研究和数值模拟,引入分配系数α表征雾状冷凝和膜状冷凝并存的权重.恒壁温冷凝管外混合气体在环形空间湍流冷却冷凝的温度分布、湿度分布及其梯度（传热传质推动力）分布的模拟结果显示,雾状冷凝的控制机理是冷壁面附近温度梯度与湿度梯度协同作用下传热传质产生的局部过饱和;膜状冷凝从冷壁面移出大量冷凝潜热,促使气相主体传热传质过程更迅速,脱湿效果更好.实际过程介于二者之间.DAP尾气冷却冷凝现场实验传热传质数据,在水汽冷凝减量34%～57%的范围内,与α＝0.2的数值模拟结果相当吻合,验证了本文的模型与数值模拟.     

静态混合器传质性能研究

用亚硫酸钠 -空气氧化法研究SV型静态混合器气 -液传质特性 ,通过反应器模型假设和物料衡算 ,建立了描述静态混合器传质过程的模型 ,并通过实验验证了模型的正确性。测定了SV型静态混合器的传质系数K和有效比表面积a的值 ,研究了气、液流速与K、a的关系 ,得到了湍流条件下K、a与流体力学条件的关联方程。     

化工计算传质学的一个改进模型

计算传质学模型由浓度输运方程及其封闭方程和相应的计算流体力学模型组成。使用这一模型可同时计算出湍流传质扩散系数、三维浓度场和速度场分布。但刘伯潭提出的传质封闭方程c2-cε模式,形式复杂而且其模型常数均直接借鉴于传热研究;此外,由于计算流体力学模型对最终浓度场的预测结果有着重要的影响,所以有对其进一步改进的必要。文中对传质封闭方程进行了简化并重新确定了模型常数,而且对计算流体力学模型进行了改进使其预测结果与文献中的实验值符合得更好。通过与文献中的湍流传质扩散系数及浓度值的比较,证明了这一简化的可行性。     

湍流中粒子—流体间的传质

通过对已有各种两相湍流传质理论的剖析，指出颗粒与流体间相对速度的大小是确定传质系数的关键。通过分析湍流场中粒子的运动，认为在不同尺度涡旋中，液固间的相对速度是不同的，传质系数也不相同，提出用能谱加权的方法求取总传质系数。以此为基础得到的模型与本文及文献中不同体系的实验结果比较后发现，在流速、粒径、粒子密度、温度、浓度、管径等条件变化较大的情况下，模型均能较好地预测传质系数的变化规律。     

计及气泡诱导与剪切湍流的气泡破碎、湍流相间扩散及传质模型

在以鼓泡塔为代表的气液鼓泡流动中,存在着气泡诱导湍流（BIT）和剪切湍流两种湍流机制,并且二者在不同的时间、空间范围内既相互竞争又共同作用。受制于BIT动能能谱的形式和特性不够完整清晰,过去的研究中关于BIT如何对气泡破碎聚并、相间作用力、相间传热传质等相间相互作用过程产生影响的结论比较模糊。因此,本文在具有波数κ^-3特性的BIT能谱的基础上,提出了在不同工况下考虑BIT与剪切湍流共同作用的研究思路。研究结果表明,考虑两种湍流机制的气泡破碎模型和湍流相间扩散模型对BIT在整体或局部占据不同程度主导地位的情况,都能很好地捕捉气液鼓泡流动的动力学特性,为进一步准确揭示气液相间传质过程的内在机理提供了基础。     

Modelling of multiple-mechanism agglomeration in a crystallization process

A three-level agglomeration model coupled with crystal growth is developed. It accounts for Brownian, laminar, and turbulent agglomeration. The desupersaturation profiles, the particle size distributions, the average sizes, and variances (or standard deviations), as well as the instantaneous agglomeration degrees for each mechanism, can be calculated as functions of time. The model is applied to the crystallization of an amorphous solid into a crystalline polymorph in a batch crystallizer. A runaway phenomenon is detected for agglomeration when crystals are switching over from the Brownian regime to the laminar one: this switchover significantly affects the desupersaturation curve and the crystal shapes.     

Qualitative Characterization of Solute Boundary Layer in Industrial Czochralski Growth of Silicon

The effective viscosity (μeff) has a crucial turbulent effect in the fluid flow. In this work, μeff is proposed and applied to the Burton, Prim, and Slichter (BPS) and Ostrogorsky-Muller (OM) analytical models to estimate the solute boundary layer in Czochralski (CZ) growth of silicon. A series of numerical simulations for CZ silicon growth are performed, with different crystal rotation rates (ranging from 1 to 50 rpm), in order to obtain different convective flow regimes. The results revealed 3.6% as the average predicted error (where, μeff was employed as an input) for the boundary layer thickness between the modified models. Furthermore, the modified OM model was also verified to describe the radial distribution of solute boundary layer, and to demonstrate the capturing efficiency of the characteristic points at melt/crystal interface. Aiming at practical purposes, Gr/Re2 was proposed as a criterion to obtain the weak lateral segregation of impurities in the crystal growth process.     

Simulation of fine particle formation by precipitation using computational fluid dynamics

The 4‐environment generalized micromixing (4‐EGM) model is applied to describe turbulent mixing and precipitation of barium sulfate in a tubular reactor. The model is implemented in the commercial computational fluid dynamics (CFD) software Fluent. The CFD code is first used to solve for the hydrodynamic fields (velocity, turbulence kinetic energy, turbulent energy dissipation). The species concentrations and moments of the crystal size distribution (CSD) are then computed using user‐defined transport equations. CFD simulations are performed for the tubular reactor used in an earlier experimental study of barium sulfate precipitation. The 4‐EGM CFD results are shown to compare favourably to CFD results found using the presumed beta PDF model. The latter has previously been shown to yield good agreement with experimental data for the mean crystal size at the outlet of the tubular reactor.     

Simulation of light-limited algae growth in homogeneous turbulence

A study is performed of the effect of turbulent mixing on algae growth rate under light-limiting conditions. In order to isolate the effect of light fluctuations and to eliminate possible effects of mass transfer and other side effects of mixing, a numerical model of algae growth is employed. The study examines three aspects of turbulent mixing using models of increasing complexity. First, mixing increases the depth of the “mixed layer”—the layer of approximately uniform algae concentration—spreading the algae produced near the surface over a thicker fluid region. We demonstrate that mixed layer depth has no effect on the net algae production rate. Second, mixing causes motion of algae cells across the optical gradient. A single-frequency harmonic model is used to demonstrate the influence of periodic motion on algae production rate for different frequencies and concentration values. The model results explain previous apparently contradictory experimental observations. Significant enhancement of algae production rate with mixing is observed for small values of the ratio of illuminated layer depth to total fluid depth; however, growth rate enhancement saturates beyond a certain mixing frequency. Third, turbulent mixing involves a broad range of fluid time and length scales. A direct numerical simulation of homogeneous turbulence coupled to the algae growth model is used to show that the main conclusions of the single-frequency model can be carried over to a more realistic turbulent flow by appropriate choice of the mixing time scale.     

钢液中Al2O3夹杂物碰撞生长的动力学模型

基于群体平衡模型,在奥斯特瓦尔德熟化的基础上,考虑布朗碰撞对分子扩散长大的影响,建立了钢液中Al2O3夹杂物碰撞生长的动力学模型,包括分子扩散长大以及由于布朗、斯托克斯和湍流碰撞引起的夹杂物聚集、生长,采用颗粒尺寸分组法对夹杂物的聚集生长进行了模拟. 结果表明,湍动能耗散率从0.1 m2/s3增加到10 m2/s3时,对临界尺寸以下粒径的分子微粒的数量密度影响较小,但对临界尺寸以上大粒径夹杂物分子微粒的数量密度影响较大. 碰撞过程中,夹杂物最大数量密度对应的极值直径约为0.2 μm.     

原子力显微镜在晶体生长机理研究中的应用

长期以来,晶体生长机理的研究大多是间接的理论分析。原子力显微镜具有原子、分子级分辨率且能在溶液等环境下工作,为我们提供了一个直接观测研究晶体生长界面过程的全新有效的工具。观察和研究的结果表明：关于光滑界面生长动力学的BCF模型、关于杂质对台阶生长阻碍作用的C-V模型等已受到冲击与挑战;关于晶面结构各向异性对晶体生长影响的研究已有新的内容;生物大分子晶体生长机理的研究面临极好的发展机遇。借助于原子力显微镜的观察研究工作,晶体生长理论可望有新的突破。     

Temperature distribution reconstruction in Czochralski crystal growth process

A mechanical geometric crystal growth model is developed to describe the crystal length and radius evolution. The crystal radius regulation is achieved by feedback linearization and accounts for parametric uncertainty in the crystal growth rate. The associated parabolic partial differential equation (PDE) model of heat conduction is considered over the time‐varying crystal domain and coupled with crystal growth dynamics. An appropriately defined infinite‐dimensional representation of the thermal evolution is derived considering slow time‐varying process effects. The computational framework of the Galerkin's method is used for parabolic PDE order reduction and observer synthesis for temperature distribution reconstruction over the entire crystal domain. It is shown that the proposed observer can be utilized to reconstruct temperature distribution from boundary temperature measurements. The developed observer is implemented on the finite‐element model of the process and demonstrates that despite parametric and geometric uncertainties present in the model, the temperature distribution is reconstructed with the high accuracy. © 2014 American Institute of Chemical Engineers AIChE J, 60: 2839–2852, 2014     

硫酸锶晶体生长动力学研究

为了从控制晶体生长角度，说明制备纳米硫酸锶沉淀体系中存在的EDTA对产品粒径的影响作用，根据过程机理，用恒组成法研究硫酸锶晶体生长动力学。根据叠加模型和弱化模型，建立体系中有EDTA存在时，硫酸锶沉淀过程的晶体生长动力学模型。结果表明，硫酸锶沉淀过程中晶体生长属于表面反应控制机理。EDTA存在能降低晶体生长速率，有利于减小粉体粒径。     

Evolution of thermoelastic strain and dislocation density during sublimation growth of silicon carbide

The evolution of crystallization front and growth conditions during sublimation growth of SiC bulk crystal is studied using a coupled heat and mass transport two-dimensional model. It is shown, in particular, that movement of the inductor coil used for heating of the growth crucible modifies the temperature profile at the growth surface but can have no remarkable effect on the growth rate.Anisotropic elasticity theory and a semi-empirical model of dislocation generation are applied for a detailed analysis of thermoelastic strain and dislocation density evolution during SiC bulk crystal growth. An important effect of a method of SiC seed attachment to the holder is revealed by modeling. It is shown that under optimal attachment, the maximum dislocation density is concentrated near the crystallization front at the periphery of the crystal. The region of high dislocation density expands with enlargement of the crystal.     

CFD simulation of large-scale bubble plumes: Comparisons against experiments

Computational fluid dynamics (CFD) simulations have been carried out to simulate a turbulent, bubble plume in a liquid pool. A two-fluid enhanced k-? model has been used, with the extra source terms introduced to account for the interaction between the bubbles and the liquid and transient calculations have been performed to study the plume growth, the acceleration of the liquid due to viscous drag, and the approach to steady-state conditions. In order to obtain correct spreading of the plume observed experimentally, it was observed that interfacial forces like lift and turbulent dispersion plays important role. The sensitivity analysis for drag coefficient and two different turbulent dispersion forces is presented. The development of the flow variables has been compared with the experimental data. From the CFD predictions obtained in the present work, it can be concluded that a two-dimensional (2D) axisymmetric assumption in this case is justified, with 2D model predictions in good agreement with the experimental data and those of a three-dimensional (3D) model, except for the shear stresses and turbulent kinetic energy. In general, quantitative comparison with the experimental data has revealed that, by applying proper models of inter-phase momentum transfer, and performing simulations based on the two-fluid model, satisfactory predictions of mean flow quantities can be obtained for this application away from the injector.