有机硅单体合成的气固流化床的三维数值模拟

为了探索有机硅单体合成气固流化床内硅粉颗粒的流化特性,作者利用计算流体力学CFD软件,采用双欧拉气固两相流模型及SIMPLE算法,模拟了三维的气固流化床内硅粉颗粒的流化特性;分析了气泡生成、长大和破裂的过程,及不同床层高度的固体颗粒运动速度矢量图,不同床层高度处横截面颗粒体积分数变化。结果表明:三维模拟能直观的表现颗粒在流化床中的流化状态,为工业生产及应用提供了有效的依据。     

Uranium Extraction from Phosphoric Acid Using Bifunctional Amido-Phosphonic Acid Ligands

Ligand systems containing amido-phosphonic acid moieties were synthesized for subsequent U(VI) extraction from phosphoric acid solutions. Studies have shown that the efficiency of extraction (distribution ratios and selectivity of U(VI) over Fe(III)) is influenced by the nature of the N-dialkyl substituents and the length and nature of the spacer. A structure-activity approach resulted in the identification of a specific ligand called DEHCBPA that exhibited larger D-values than the corresponding URPHOS reference system. The distribution ratios for U(VI) extraction increased considerably with a branched N-dialkyl chain when a steric hindrance was introduced into the methylene bridge of the amido-phosphonic acid ligands.     

Supercritical Carbon Dioxide Extraction of Uranium from Acidic Medium Employing Calixarenes

Various calixarenes were evaluated for the supercritical fluid extraction of uranium from nitric acid medium. The extraction efficiency was found to be affected by various parameters, namely pressure, temperature, CO₂ flowrate, extraction time, and molarity of nitric acid. The addition of HPFOA (pentadecafluoro-n-octanoic acid) for the production of CO₂-phillic fluorinated counter ion enhanced the extraction efficiency. Under optimized conditions (pressure of 200 atm, temperature of 323 K, 30 minutes of static time followed by 30 minutes of dynamic time, CO₂ flowrate of 2 mL min^?1, nitric acid molarity of 0.1 M) for uranium: calixarene: HPFOA mole ratio of 1:5:10, highest extraction efficiency could be obtained with p-tert.-butyl calix[6]arene (79.9%). Solvent extraction study with hexane as the organic phase indicated the formation of [UO₂ (calixarene)]²⁺. In order to assess the suitability of the developed method to extract uranium in the presence of a host of other ions, extraction efficiency for other metal ions was estimated.     

双层折叶桨式搅拌器三维流场的数值模拟

采用计算流体力学(CFD)模拟软件MIXSIM对熔盐萃取过程中使用的双层折叶桨式搅拌器在萃取槽内形成的三维流场进行模拟研究,得到搅拌桨固定位置特定转速条件下萃取槽内的压力分布云图、速度分布云图和速度矢量图,明确了槽内熔盐的流动状态,为搅拌器和萃取槽的后续设计与优化提供理论参考。     

基于颗粒直径大小对环形空间携屑影响的数值模拟

钻井是开发石油资源一个非常重要的环节和技术手段,井中岩屑易在井眼底部形成岩屑床,导致下钻遇阻、蹩泵甚至卡钻,因此岩屑运移机理的研究对钻井作业来说至关重要。通过对现场实际情况的调研,得到井下上返颗粒的直径范围,进行数值模拟。运用Solid Works对井下环形空间进行建模与装配,得到井下环形空间的三维模型。使用软件建立井下环形空间的简化模型,通过应用FLUENT中动网格部分的UDF编写成功地实现了钻杆的旋转。运用FLUENT数字模拟软件,通过对流体非定常流的数值模拟,对岩屑在环形空间的运移规律进行研究,模拟条件更加接近实际情况,结果更加精确,可以为钻井井眼清洁工作提供科学参考。     

翼形桨搅拌槽内混合过程的数值模拟

采用FLUENT软件的多重参考系(MRF)及标准k-ε模型,将速度场与浓度场方程分开进行求解,对单层轴流式三叶CBY翼形桨搅拌槽内的混合过程进行了数值模拟,所得的混合时间的模拟结果与实验值相吻合。同时采用数值模拟的方法研究了不同的示踪剂加料点、监测点位置及操作条件对混合时间的影响规律;模拟结果表明,混合过程主要由搅拌槽内的流体流动所控制,混合时间与示踪剂加料点及监测点位置密切相关。上述的研究结果对于工业搅拌反应器的优化具有一定的参考意义。     

Performance Evaluation of a Two-Stage Entrained-Flow Coal Gasifier Using Numerical Simulation

An advanced air-blown two-stage entrained-flow coal Mitsubishi Heavy Industries (MHI) gasifier is numerically studied under actual conditions. The simulation results are verified first with actually measured data of an industrial MHI gasifier. Then, the effects of different parameters such as the sizes of pulverized coal particles, devolatilization parameters, and operating pressure on the gasifier performance are investigated. The results indicate that as the coal particle size increases, the syngas temperature at the gasifier exit rises while the reactivity of the coal particle decreases. Reducing the operating pressure can have a negative effect on the gasifier throughput while the opposite trend is observed for higher operating pressure.     

Extraction Behavior of Some Actinides and Fission Products from Nitric Acid Medium by a New Unsymmetrical Diglycolamide

Abstract

A new unsymmetrical diglycolamide, N,N-di-2-ethylhexyl-N',N'-di-octyl-3-oxapentane-1,5-diamide, trivially known as di-ethylhexyl-di-octyl-diglycolamide (DEHDODGA) has been synthesized, and characterized by ¹H, and ¹³C nmr, mass, and IR spectroscopy. Extraction behavior of ²⁴¹Am(III), ^(152+154)Eu(III), ²³⁹Pu(III), ²³⁹Pu(IV), ²³³U(VI), ¹³⁷Cs(I), and ^(85+89)Sr(II) from nitric acid medium by a solution of DEHDODGA in n-dodecane was studied, at 298–333 K. The effect of concentrations of HNO₃ and DEHDODGA and of temperature on the distribution ratio (D _M) was studied. Extraction of Eu(III), Am(III), Pu(III), and Pu(IV) increased with increase in nitric acid concentration, and the distribution ratio of Cs(I) was insignificant. However, the distribution ratios of U(VI) and Sr(II), though not insignificant, but was quite less compared to trivalents, and Pu(IV). The D _Sr(II) increased with increase in the concentration of nitric acid, reaching a maximum at 4 M followed by decrease. The stoichiometry of Am(III) – DEHDODGA was determined by slope analysis of extraction data, and the enthalpy change accompanied by the extraction of Eu(III), Pu(III), and Am(III) was determined and reported in this article.     

Extraction of Uranium and Thorium from Nitric Acid Solution by TODGA in Ionic Liquids

Extraction of uranium (UO₂²⁺) and thorium (Th⁴⁺) from a nitric acid solution into an imidazolium-type ionic liquids (ILs) of 1-alkyl-3-methylimidazolium hexafluorophosphate ([C_nmim][PF₆], n = 6 or 8) was carried out using N,N,N′,N′-tetraoctyl-3-oxapentanediamide (TODGA) as an extractant. It was found that the extraction efficiencies of UO₂²⁺ and Th⁴⁺ ions are higher in comparison with that done in n-dodecane. The extraction mechanism was deduced by the slope analysis and extraction experiment. Transfer of both ions is assumed to proceed predominantly through the neutral solvation mechanism from nitric acid solution into ILs. The UO₂²⁺ ion forms a 1:2 complex with TODGA in ILs at lower acidity, and a 1:1 complex in ILs and in n-dodecane at higher acidity. The Th⁴⁺ ion forms a 1:2 complex with TODGA in C₆mimPF₆ IL or a 1:1 complex in C₈mimPF₆ IL at lower acidity and a 1:1 complex in both ILs, and n-dodecane at higher acidity. Stripping studies were conducted using sodium salt of EDTA as a stripping ligand. The thermodynamics of extracting UO₂²⁺ ions and Th⁴⁺ ions from a 3 M HNO₃ solution was also studied. The results indicated that the extraction reactions are spontaneous and go through an exothermic process.     

Extraction Properties of P(O)-Modified N-Aryl-Carbamoylmethylphosphine Oxides in Nitric Acid Media

Novel polyfunctional neutral organophosphorus compounds, P(O)-modified N-aryl- carbamoylmethylphosphine oxides, Ph₂P(O)CH₂C(O)NH-(o-C₆H₄)(CH₂)_n-P(O)Ph₂ and Ph₂P(O)CH₂C(O)NH-(m-C₆H₄)(CH₂)_n-P(O)Ph₂ (n = 1,2), were synthesized and studied as extractants for U(VI), Th(IV) and Ln(III) from HNO₃ solutions. The influence of aqueous and organic phases on the extraction efficiency was elucidated and stoichiometry of the complexes extracted was determined. Introduction of an additional phosphoryl group into the phenyl substitutent at the nitrogen atom of diphenyl(N-phenylcarbamoylmethyl)phosphine oxide resulted in an increase of the efficiency of U(VI), Th(IV), Ln(III), and Re(VII) extraction.     

Numerical Analysis of the Catalytic Combustion of Premixed Methane/Air Mixtures in Microtubes

The combustion characteristics and extinction limits for the catalytic combustion of a methane/air mixture in a microtube are investigated computationally using the commercial CFD code FLUENT coupled to an external subroutine DETCHEM. The effects of the microtube dimensions, conductivities of wall materials, external heat losses and flow velocity on the combustion stability, are also studied. The numerical model is set as either adiabatic or non‐adiabatic with a fixed exterior heat transfer coefficient. Numerical results indicate that thermal conductivity and wall thickness are vital to preheat the methane/air mixture through the conducting wall. Two types of extinction occur, i.e., thermal quenching and blow out. These extinction limits are characterized by wall surface temperature in the microtube and the ratio of Pt(s)/O(s).     

Operating Regimes and Hydrodynamics of a Rotating‐Disc Contactor

The operating regimes for a pilot‐scale rotating‐disc contactor (RDC) were investigated by a computational fluid dynamics/population balance model (CFD‐PBM) simulation. The model successfully predicted the critical rotor speed, which divided the entire operating range into two regions. In the low rotor speed region, the input energy was insufficient to break droplets, resulting in an almost constant droplet diameter. Therefore, the increasing revolution slightly affected the interfacial area, while the axial mixing became severe. In contrast, the interfacial area increased significantly in the high rotor speed region because of the increased breakage rate. Moreover, the axial mixing extent increased slightly because the dispersed‐phase accumulation enhanced the advection effect. The results indicate that the CFD‐PBM approach can be applied to engineering practice for extractors.     

气-液两相降膜流动及传质过程的CFD研究

利用VOF法建立了考虑表面张力动量源项、气液相间摩擦力动量源项以及相问传质源项的CFD计算模型,定量描述了气．液两相逆流降膜传质过程。根据CFD模型,计算了不同液相进口浓度和不同气相流量条件下,异丙醇稀溶液的解吸过程,模拟得到的液相出口浓度与实验数据吻合很好。相界面处的浓度分布表明。随自由表面波动,界面浓度会发生剧烈脉动。液相总传质系数增强因子R的实验值与CFD模拟均表明,即使在很小的传质推动力下R也大于1。由于CFD模型不考虑Rayleigh-Benard-Maragoni效应,则这种现象,可解释为界面波动对传质增强的结果。这也证明增强界面波动是一种强化传质分离过程的有效途径。     

Numerical and experimental investigations of liquid mixing in two-stage micro-impinging stream reactors

A two-stage micro-impinging stream reactor(TS-MISR) that combined a first pre-mixing stage with a second micro-impinging stream reacting stage for continuous multi-component reacting systems has been built from commercial T-junctions and steel micro-capillaries. Both of operating parameters and reactor configurations,such as jet Reynolds number(Rej), volumetric flow ratio(R), the first-stage junction angle(φ), the connecting capillary length(Lc) and connecting capillary diameter(dc), had significant effects on the micromixing efficiency of the reactor. Such effects were investigated for both of the two stage structures, respectively, by experimental and CFD methods and were optimized for the best micromixing performance. Intensified micromixing among at least three reacting components can be achieved in a continuous mode by using TS-MISR; therefore, it is expected that the TS-MISR will produce products of higher quality with more uniform and stable element distribution.     

Validation of Submodels for CFD Simulation of n‐Hexane Pool Flames including Interferometry

Computational fluid dynamics simulation is used to predict transient and time‐averaged flame temperatures and species concentrations of an n‐hexane pool flame. Employing a combination of an assumed probability density function approach with laminar flamelets using detailed kinetic data and large eddy simulation with Smagorinsky submodel is shown to be a promising way in modeling pool and tank fires. The measured species concentration and flame temperature profiles from gas chromatography, thermocouple measurements and holographic interferometry are used to validate the submodels for CFD simulation of pool flames.     

应用CFD技术对工业结晶过程进行模拟和放大

Some empirical mixing models were used to describe the imperfect mixing in precipitation process.However, the models can not, in general, reflect the details of interactions between mixing and crystallization in a vessel. In this study, CFD (computational fluid dynamics) technique were developed by simulating the precipitation of barium sulphate in stirred tanks by integration of population balance equations with a CFD solver. Two typical impellers, Rushton and pitched blade turbines, were employed for agitation. The influence of feed concentration and position on crystal product properties was investigated by CFD simulation. The scale-up of these precipitators was systematically studied. Significant effect on the crystal properties was found for the scale-up under some conditions.Keywords simulation, scale up, precipitation, CFD(computational fluid dynamics)     

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.     

环缝内衬固液分离耐磨旋流器磨损的数值模拟

旋流器由于结构简单、安装方便、操作便捷等优点,被广泛应用于各个工业领域。从旋流器使用以来,磨损问题就一直受到人们的极大关注,虽然在耐磨材料方面进行了大量研究,但事实表明,旋流器磨损问题仍然存在。为了提高固液分离旋流器的耐磨性,延长旋流器的使用寿命,本文提出一种环缝内衬固液分离耐磨旋流器。基于计算流体力学(CFD)方法,应用ANSYS软件中雷诺应力模型和离散相模型,对其磨损进行了模拟研究,并与普通固液分离旋流器进行对比分析,最后对模拟准确性进行实验验证。结果表明:旋流器磨损最严重的位置位于壁面入口处、圆锥体与圆柱筒体交界处及底流口附近。对于环缝内衬旋流器,由于环缝的存在,大幅度降低了旋流器壁面的磨损。另外,因为较大固体颗粒穿过环缝进入到环缝内衬和器壁的空间中,使靠近内衬的浆体浓度降低,从而也降低了环缝内衬的磨损,这一结果体现出环缝内衬旋流器的重要工程实用意义。