化工过程模拟的计算传质学方法

The recent works on the development of computational mass transfer （CMT） method and its applications in chemical process simulation are reviewed. Some development strategies and challenges in future research are also discussed.     

Marangoni效应与汽液传质过程

介绍Marangoni效应对液体混合物流型的影响,同时指出其影响传质过程的机理。在概述国内外这一领域的研究动态和进展的基础上,提出了在Marangoni效应作用下传质过程的控制与操作以及设计和开发新传质元件的思路与策略。     

伴随传质的液液体系微分散流型图的实验研究(英文)

This paper presents the experimental results of liquid-liquid microflows in a coaxial microfluidic device with mass transfer.Three working systems were n-butanol + phosphoric acid(PA) + water,methyl isobutyl ketone(MIBK) + PA + water,30% kerosene in tri-n-butylphosphate(TBP) + PA + water.The direction and intensity of mass transfer were adjusted by adding PA in one of two phases mutual saturated in advance.When PA transferred from the organic phase to the aqueous phase,tiny aqueous droplets may generate inside the organic phase by mass transfer inducement to form a new W/O/W flow pattern directly on some special cases.Once the PA concentration was very high,violent Marangoni effect could be observed to throw part of organic phase out of droplets as tail.The interphase transfer of PA could expand the jetting flow region,in particular for systems with low or medium inter-facial tension and when the mass transfer direction was from the aqueous phase to the organic phase.     

伴有Marangoni效应的传质动力学

结合Marangoni对流的流体动力学条件,通过建立的半经验模型研究了伴有Marangoni效应的传质动力学,阐述了Marangoni效应增强传质的机理,得到了传质Sherwood数与Marangoni数之间的连续指数关联,从而得以解释不同实验过程中得到的不同Sherwood数与Marangoni数之间的关系.研究表明,由Marangoni效应而增强的传质系数与界面Marangoni湍动的表现形式有关.     

气液界面Marangoni效应对传质系数的影响

在气液相际传质过程中,界面Marangoni湍动会对传质过程产生重要的影响,为此,建立了一套气液接触传质设备,以使得通过N2与异丙醇稀溶液逆流接触将液体中使表面张力降低的溶质解吸出来,从而引发Marangoni湍动,提高传质速率。发生Marangoni对流时,液相的传质系数比只依靠扩散传质而不考虑Marangoni效应时大,因此引出增强因子F这一概念,通过计算F的值即可判断Marangoni效应对传质速率影响的程度。提出了一个包括Marangoni准数的计算传质系数关联式,其计算结果与实验结果相符．     

界面传质中Rayleigh对流的格子Boltzmann模拟和实验验证(英文)

Concentration gradient induced Rayleigh convection can influence effectively interfacial mass transfer processes, but the convection phenomena are known as mesoscopic and complex. In order to investigate this phe-nomenon, a two-equation Lattice Boltzmann Method (LBM) is proposed to simulate the velocity and the concentra-tion distributions of Rayleigh convection generated in the CO2 absorption into ethanol liquid. The simulated results on velocity distributions are experimentally verified by PIV (particle image velocimetry technique) measurements. In order to simplify the analysis, the convection in the simulation as well as in the experiment, the Rayleigh convec-tion was manipulated into a single down flow pattern. The simulated results show that the concentration contours agree qualitatively with the schlieren images in the literature. The experimental and simulated results show that the Rayleigh convection under investigation is dominated by the flow in the downward direction and impels exchange of the liquid between the interfacial vicinity and the liquid bulk promoting the renewal of interfacial liquid, and hence enhances mass transfer. The comparison between the simulated and experimental results demonstrated that the proposed LBM is a promising alternative for simulating mass transfer induced Rayleigh convection.     

气液传质液滴界面的Marangoni对流

通过氮气吹扫双组分液滴,用激光投影法定性观察由于轻组分向气相扩散导致的Marangoni对流结构,结果表明Marangoni对流以小尺度涡流结构和大尺度对称循环流动的形式出现,其中乙醇-水体系首先出现小尺度涡流结构,涡流不断长大合并;丙酮-水体系则以大尺度对称循环对流结构为主,随后在近界面处形成小尺度涡流结构。采用氮气吹扫乙醇-水及丙酮-水静止悬垂单液滴的方法,通过比较实验测量传质系数与理论预测值,表明液滴近界面处Marangoni对流小尺度涡结构对传质促进作用较小,而液滴内大尺度循环对流结构对传质促进作用大。     

边界层对三氯氢硅-氢气系统中多晶硅化学气相沉积的影响

This paper presents the numerical investigation of the effects of momentum, thermal and species boundary layers on the characteristics of polycrystalline silicon deposition by comparing the deposition rates in three chemical vapor deposition (CVD) reactors. A two-dimensional model for the gas flow, heat transfer, and mass transfer was coupled to the gas-phase reaction and surface reaction mechanism for the deposition of polycrystalline silicon from trichlorosilane (TCS)-hydrogen system. The model was verified by comparing the simulated growth rate with the experimental and numerical data in the open literature. Computed results in the reactors indicate that the deposition characteristics are closely related to the momentum, thermal and mass boundary layer thickness. To yield higher deposition rate, there should be higher concentration of TCS gas on the substrate, and there should also be thinner boundary layer of HCl gas so that HCl gas could be pushed away from the surface of the substrate immediately.     

Marangoni效应对填料塔精馏传质过程的影响

通过 4种正体系、 5种负体系的精馏实验 ,考察了Marangoni效应对填料塔中传质过程的影响。结果表明 :正体系的气相体积总传质系数KGa与组成无关 ,仅受气相流量 qG 的影响 ,可用关联式KGa =AqGB,和B =0 .94± 0 .0 4表示 ;而对负体系 ,由于Marangoni效应的存在 ,顺着液相流动方向 ,KGa逐渐减小。其关联式为KGa =AqGBMsC,B =1.0 5± 0 .0 4,C =0 .3± 0 .0 5 ,该式的平均误差约为 6%。     

规整填料内气液两相流动与传质的计算传质学模型

Detailed investigation of flow behavior in structured packing distillation columns is of great importance in accurate prediction of process efficiency and development of more efficient and optimal equipment internals. In this study, a three-dimensional two-phase flow model based on VOF method for simulating the hydrodynamics and mass-transfer behavior in a typical representative unit of the structured packing is developed. In the proposed model, the model is used for the closure of turbulent mass transfer equation. By solving the proposed model, the velocity distribution, phase fraction profile and concentration field are obtained. Using these data, the total liquid holdup, the wetted area and the separation efficiency [height equivalent to a theoretical plate (HETP)] are estimated. For testing the model validation, the simulated HETPs are compared with our previous experimental data obtained in a 150 mm-diameter column containing Mellapak 350Y operating at the pressures of 0.6-1.8 MPa. The compari-son shows that they are in satisfactory agreement, with an average absolute deviation (AAD) of 25.4%.     

多相传质过程中的Marangoni效应

Marangoni效应广泛存在于液液、气液相际传质过程中,通常会对传质速率产生重要影响。对Marangoni效应的实验及理论研究有助于增进对微观传质机理的理解,是强化相间传质过程效率的重要因素。重点介绍了液液体系中单液滴萃取的实验和模拟研究,对液液体系中Marangoni效应不稳定性的判据,对气液体系有效传质面积的影响,以及两种体系中利用表面活性剂进行传质调控的研究等方面的进展进行了综述,还探讨了传质过程中Marangoni效应应用研究的方向。     

竖直流动皂膜中解吸导致的Marangoni对流观察

In gas-liquid mass transfer processes,Marangoni convection may occur due to the surface tension gradient produced by mass transfer near the interface.With a falling soap film tunnel and the Schlieren optical method,the Marangoni convection patterns along the film surface were observed directly in the desorption process of acetone from the falling soap film.The Schlieren images showed the regular roll convection in the thin falling soap film during the acetone desorption.The hydraulic characteristics were determined experimentally by measuring the variation of acetone concentration in the film and the surface tension of the soap liquid.The results show that the acetone concentration gradient vertical to the falling direction is very small because the thickness of the soap film is in the order of 10^-6 m.The variation of acetone concentration along the falling film is large,so there is a significant surface tension gradient,resulting in the Marangoni roll convection.The experimental results and a qualitative analysis may be helpful to understand the mechanism of Marangoni convection near the interface in the mass transfer.     

皂膜解吸Marangoni对流观察及分析

利用竖直流动皂膜装置,使用纹影光学方法观察了由于丙酮从皂液中解吸,在微米级厚度皂膜上出现的滚筒状Marangoni对流结构;通过建立皂膜传质数学模型及求解,分析了丙酮从皂膜解吸过程中浓度及表面张力的变化。结果表明:由于微米级的皂膜厚度,在皂膜平面法向方向皂膜内皂液丙酮浓度变化很小,但浓度梯度较大,对应的表面张力梯度较大,此较大表面张力梯度是丙酮从皂膜解吸过程中出现Marangoni对流的主要成因。     

双光路纹影仪观察气液传质界面湍动现象

建立了双光路纹影仪实验系统,并利用双光路纹影仪,同时从垂直和平行于界面两个方向对氯苯吸收、解吸CO₂的传质对流结构进行了观察,发现在氯苯吸收CO₂时,没有明显的对流结构,只是在垂直界面的纹影图像中观察到逐渐变粗的暗条纹。在氯苯解吸CO₂时,在垂直和平行于界面两个方向都观察到了明显的对流结构,在垂直界面的纹影图像中开始时出现分层现象,随着解吸的进行,对流加剧,分层现象被破坏;平行界面方向的对流结构发展较快,优先在平行界面的纹影图像中观察到明显的对流结构。由于传质的热效应,两个方向的对流结构都有向中心运动的趋势。实验表明,双光路纹影仪实验系统能观察界面传质对流过程的三维变化,可深化对界面传质对流过程的认识。     

纳米流体强化气液传质研究进展

简要阐述了气相沉积法、共混法和分散法3种纳米流体的制备方法以及物理法、化学法两种纳米流体的分散技术。重点综述了纳米流体强化气液传质过程以及强化机理方面的最新研究成果。分析给出了纳米流体强化气液传质的几点原因：掠过效应、抑制气泡聚并机理、边界层混合机理、渗透机理以及多个影响因素相互关联作用。并预测出可能成为研究热点并有助于统一的强化理论表述提出的4个研究方向：影响纳米颗粒强化气液传质的各种因素相互耦合作用;纳米流体对氨、CO2、CO、O2和水蒸气以外的其它气体的物理化学吸收,进一步提出纳米颗粒强化气液传质普适性模型;搜集纳米颗粒影响气液界面附近的浓度分布;速度分布的微观信息以及纳米颗粒与气液界面相互作用的研究。     

气液传质过程的界面湍动

界面湍动对相际传质具有重要影响。利用显微激光全息干涉技术研究了 CO2 在乙醇 -水溶液中吸收过程的界面湍动情况 ,实验观察了界面湍动强度与溶液浓度的关系 ,结果表明 ,乙醇浓度越高 ,界面湍动强度越大 ,文中对此进行了分析和讨论。