INTEGRAL COLLISION KERNEL FOR THE GROWTH OF AEROSOL PARTICLES

Integral collision kernel is elucidated using experimental results for titania, silica and alumina nanoparticles synthesized by FCVD process, and titania submicron particles synthesized in a tube furnace reactor. The integral collision kernel was obtained from a particle number balance equation by the integration of collision rates from the kinetic theory of dilute gases for the free-molecule regime, from the Smoluchowski theory for the continuum regime, and by a semi-empirical interpolation for the transition regime between the two limiting regimes. Comparisons have been made on particle size and the integral collision kernel, showing that the predicted integral collision kernel agreed well with the experimental results in Knudsen number range from about 1.5 to 20.     

Soot Particle Size Distribution Functions in a Turbulent Non-Premixed Ethylene-Nitrogen Flame

A scanning mobility particle sizer with a nano differential mobility analyzer was used to measure nanoparticle size distribution functions in a turbulent non-premixed flame. The burner utilizes a premixed pilot flame which anchors a C₂H₄/N₂ (35/65) central jet with Re _D = 20,000. Nanoparticles in the flame were sampled through a N₂-filled tube with a 500- μm orifice. Previous studies have shown that insufficient dilution of the nanoparticles can lead to coagulation in the sampling line and skewed particle size distribution functions. A system of mass flow controllers and valves were used to vary the dilution ratio. Single-stage and two-stage dilution systems were investigated. A parametric study on the effect of the dilution ratio on the observed particle size distribution function indicates that particle coagulation in the sampling line can be eliminated using a two-stage dilution process. Carbonaceous nanoparticle (soot) concentration particle size distribution functions along the flame centerline at multiple heights in the flame are presented. The resulting distributions reveal a pattern of increasing mean particle diameters as the distance from the nozzle along the centerline increases.     

Nanoparticle coagulation in a planar jet via moment method

Large eddy simulations of nanoparticle coagulation in an incompressible pla- nar jet were performed.The particle is described using a moment method to approximate the particle general dynamics equations.The time-averaged results based on 3000 time steps for every case were obtained to explore the influence of the Schmidt number and the Damkohler number on the nanoparticle dynamics.The results show that the changes of Schmidt number have the influence on the number concentration of nanoparticles only when the particle diameter is less than 1 nm for the fixed gas parameters.The number concentration of particles for small particles decreases more rapidly along the flow di- rection,and the nanoparticles with larger Schmidt number have a narrower distribution along the transverse direction.The smaller nanoparticles coagulate and disperse easily, grow rapidly hence show a stronger polydispersity.The smaller coagulation time scale can enhance the particle collision and coagulation.Frequented collision and coagulation bring a great increase in particle size.The larger the Damkohler number is,the higher the particle polydispersity is.     

Behavior of Moderately Oscillating Sooting Methane-Air Diffusion Flames

The properties of oscillating sooting methane air diffusion flames have been investigated by different methods in order to examine instationary effects in these flames. The pulsation has been induced by modulation of the methane gas flow with an amplitude of 30% of the mean gas flow. The focus of the investigations is on the flame oscillated at 10 Hz, which is close to the frequency of self-induced flickering. Additionally, further measurements at varying frequencies have been performed to determine the transition towards steady-state behavior. Different measurement techniques allowed the determination of soot volume fractions, particle number densities, mean particle radii, particle temperatures, and OH*-chemiluminescence. The oscillating flame shows strong instationary effects and increased soot concentrations compared to the steady-state flame of equivalent mean fuel flow. Accompanying calculations are based on a kinematic analysis of diffusion flames. The model can sufficiently well reproduce the flame height and the contour of the flame. Furthermore, the model describes the asymmetric course of the OH*-emission signal. A simple numerical approach is deduced that explains qualitatively the strong variations of the soot volume fraction in an oscillating flame. This paper is based on work presented at the 2nd ECCOMAS Thematic Conference on Computational Combustion, Delft, 2007.     

Experimental study of the synthesis of fused silica by direct combustion hydrolysis

Oxy-fuel flames for direct combustion hydrolysis of fused silica (DQ) are characterized, using non- intrusive optical measurement techniques only. Flow, temperature, concentrations, development of silica nano-particles in the flame, and surface temperature of the glass in the flame are measured. The setup used for characterization of particle distribution via Rayleigh scattering as well as mandatory improvements of the Raman/Rayleigh technique for temperature and concentration measurements in oxy-fuel flames have been developed in the framework of this study and are presented. The measurement techniques herein demonstrated are not only capable of describing these special extremely hot flames, but are broadly applicable in oxy-fuel flames as well as in chemical vapor deposition (CVD) processes. The presented data evidently shows that if the special character of oxy-fuel flames is taken into account, some of the results drawn from earlier investigations into CVD, concerning particle growth, flame stability, and particle deposition efficiency, are transferable into DQ. From the extensive data given, connections between different information are detected and help to reduce required measurements for further investigation and point to simple techniques that might be used for online process monitoring, at least during research and development of similar flames. Received: 18 December 2000 / Accepted: 14 June 2001     

Numerical simulation of oxide nanoparticle growth characteristics under the gas detonation chemical reaction by space-time conservation element–solution element method

Under harsh conditions (such as high temperature, high pressure, and millisecond lifetime chemical reaction), a long-standing challenge remains to accurately predict the growth characteristics of nanosize spherical particles and to determine the rapid chemical reaction flow field characteristics. The growth characteristics of similar spherical oxide nanoparticles are further studied by successfully introducing the space-time conservation element–solution element (CE/SE) algorithm with the monodisperse Kruis model. This approach overcomes the nanosize particle rapid growth limit set and successfully captures the characteristics of the rapid gaseous chemical reaction process. The results show that this approach quantitatively captures the characteristics of the rapid chemical reaction, nanosize particle growth and size distribution. To reveal the growth mechanism for numerous types of oxide nanoparticles, it is very important to choose a rational numerical method and particle physics model.     

Synthesis of TiO2 nanoparticles by propane/air turbulent flame CVD process

Synthesis of TiO2 nanoparticles by the oxidation of titanium tetrachloride (TiCl4) in high-strength propane/air turbulent flame is investigated tentatively for mass production ofTiO2 nanoparticles. Effects of reactor heat flux varying from 247 to 627 kJ/m2 s, initial TiO2 number density from 2×1020> to 1 × 1021 m-3, and apparent residence time of TiO2 nanoparticles in reactor from 0.06 to 0.9 s, on particle morphology, phase composition, UV absorption and photoluminescence (PL) spectra are studied. The TiO2 nanoparti-cles synthesized, with mean size of 30-80 nm and rutile mass fraction from 0.155 up to 0.575, exhibited a strong PL signal at the wavelength of 370-450 nm, with a wide peak signal at 400-420 nm, reflecting significant oxygen vacancies on the surface of the TiO2 nanoparticles.     

切圆燃烧锅炉内煤粉燃烧过程的数值模拟──等密度模型和等直径模型

用等密度模型和等直径模型模拟了切圆燃烧锅炉内的燃烧过程。用计算粒子来描述煤粉粒子群的运动和燃烧。假定粒子群围绕计算粒子呈正态分布来求得炉内燃烧热的分布。     

尼龙粉末在SLS预热温度下的离散元模型参数确定及其流动特性分析

尼龙粉末是增材制造中常用的粉体材料,温度对其流动性有重要影响. 探索尼龙粉末增材制造预热温度下的流动性是研究选择性激光烧结(selective laser sintering, SLS)工艺中粉体铺展成形的基础. 选取SLS技术中的尼龙粉末为原材料,采用离散元数值方法,研究尼龙粉末的流动行为,是增材制造工艺数值模拟和铺粉工艺优化的研究热点. 以Hertz-Mindlin模型为基础,基于Hamaker理论模型和库伦定律,在尼龙粉末的接触动力学模型中引入范德华力和静电力,建立预热温度下尼龙粉末流动的离散元模型(discrete element method, DEM),通过对比相应实验结果,标定了该模型的参数. 对加热旋转圆筒中尼龙粉末流动过程进行了DEM数值模拟,校核了所建模型的正确性,并研究了粉体粒径分布对尼龙粉末流动特性的影响规律. 研究表明,尼龙粉末黏附力是静电力与范德华力的共同作用结果;随着粉体粒径的增大,尼龙粉末崩塌角增大,流动性增强;相对于高斯粒径分布,粒径均匀分布的尼龙粉末颗粒流动性更强. 研究结果可指导SLS中铺粉工艺的优化.      

离散元法铁粉末压制中粒径分布对力链演化机制的影响

为阐明粒径分布对铁粉压制中体系内部细观力学行为的影响, 基于离散元理论, 通过改变铁粉颗粒粒径分布建立压制模型, 结合力链提取方法, 通过对力链空间分布、力链数目、力链长度和力链方向性的分析, 探究粒径分布对力链演化的影响机理. 研究结果表明: 不同粒径分布的粉体压制时形成的力链空间分布具有差异, 粒径分布范围越小, 形成的力链分布越集中, 反之, 粒径分布范围越大, 形成的力链分布越松散且均匀; 在粉末压制时, 粒径分布对力链数目也有影响, 具体表现为随着粉体的粒径分布范围变大, 力链总数逐渐减少; 粉体的粒径分布对颗粒形成短力链的数目起着显著影响, 而对力链长度的影响较为有限; 随着粒径分布范围的增大, 力链的方向由均匀分布逐渐集中在特定角度方向, 表现出一定各向异性, 形成的交叉力链网络结构有利于提高粉体致密化程度. 本文为从粉体粒径分布影响层面拓展粉末压制细观力学理论提供基础, 亦为进一步结合粉体粒径分布及体系内力链演变过程改善粉末致密化行为提供指导.      

Measurement of local size and velocity probability density distributions in two-phase suspension flows by Laser-Doppler technique

A technique is presented for the simultaneous measurement of the local number and velocity probability densities of a dilute two-phase suspension which has a distribution of particle sizes and a predominate direction of flow orientation such as in the cases of pipe and boundary-layer flows. It is shown that by a suitable scheme of discrimination on the amplitude as well as the residence time and frequency of the individual Laser-Doppler bursts, one can obtain the statistics on the size number density distribution and, for each size range, velocity distribution of the particulate phase together with the velocity probability distribution of the fluid phase.Results have been obtained for experiments conducted on a laminar uniform flow and a turbulent shear flow of a dilute glass particle-water suspension having a particle size distribution. Calibration needed for the scheme was accomplished by analyzing particle size and number density distribution data obtained from a Coulter particle sizing counter on a sample taken with an isokinetic probe.     

PRODUCTION OF PIGMENT NANOPARTICLES USING A WET STIRRED MILL WITH POLYMERIC MEDIA

Pigment nanoparticles with a size range of 10-100 nm were produced from large agglonmerates via a stirred media mill operating in the wet-batch mode and using polymeric media,The effects of several operating variables such as the surfactant concentration,polystyrene media loading.and media size on the pigment size distribution of the product were studied.The process dynamics was also investigated.Dynamic light scattering and electron microscopy were used as the characerization techniques.The polymeric grinding media are found to be effective for the production of pigment nanoparticles.The experimental results suggest the existence of an optimum media size and surfactant concentration,A population balance model of the process reveals a transition from first-order breakage kinetice for rela-large agglomerates split in a first-order kinetics,with a delay period,for the smaller particles.The model implies that large agglomerates split in a first-order fashion whereas the breakage of individual naoparticles may depend on induced fatigue of the particles.     

Joint PDF Closure of Turbulent Premixed Flames

In this paper, a novel model for turbulent premixed combustion in the corrugated flamelet regime is presented, which is based on transporting a joint probability density function (PDF) of velocity, turbulence frequency and a scalar vector. Due to the high dimensionality of the corresponding sample space, the PDF equation is solved with a Monte-Carlo method, where individual fluid elements are represented by computational particles. Unlike in most other PDF methods, the source term not only describes reaction rates, but accounts for “ignition” of reactive unburnt fluid elements due to propagating embedded quasi laminar flames within a turbulent flame brush. Unperturbed embedded flame structures and a constant laminar flame speed (as expected in the corrugated flamelet regime) are assumed. The probability for an individual particle to “ignite” during a time step is calculated based on an estimate of the mean flame surface density (FSD), latter gets transported by the PDF method. Whereas this model concept has recently been published [21], here, a new model to account for local production and dissipation of the FSD is proposed. The following particle properties are introduced: a flag indicating whether a particle represents the unburnt mixture; a flame residence time, which allows to resolve the embedded quasi laminar flame structure; and a flag indicating whether the flame residence time lies within a specified range. Latter is used to transport the FSD, but to account for flame stretching, curvature effects, collapse and cusp formation, a mixing model for the residence time is employed. The same mixing model also accounts for molecular mixing of the products with a co-flow. To validate the proposed PDF model, simulation results of three piloted methane-air Bunsen flames are compared with experimental data and very good agreement is observed.     

Photodegradation of benzene by TiO_2 nanoparticles prepared by flame CVD process

Photodegradation of benzene at ppb levels by mixed-phase TiO 2 nanoparticles, synthesized by the oxidation of TiCl 4 in propane/air turbulent flame chemical vapor deposition (CVD) process, is investigated experimentally by using a tubular photoreactor with thin TiO 2 films coated on the reactor wall by sedimentation. Effects of inlet benzene concentration from 10 to 300 g/m 3 , rutile mass fraction from about 20 to 50% and photoluminescence (PL) intensity of TiO 2 nanoparticles on degradation degree are exa...     

THERMODYNAMIC AND PARTICLE-DYNAMIC STUDY FOR COMBUSTION SYNTHESIS OF TITANIA NANOPARTICLES

Recent referential studies on combustion synthesis of titania nanoparticles were briefly reviewed. Computations based on the minimization of Gibbs free energy were conducted to find the equilibrium compositions, the optimal reaction temperature, the suitable mole ratio of oxygen to titanium tetrachloride, and the best inlet positions of titanium tetrachloride. The mean particle diameter was obtained from particle-dynamic simulation. A combustion apparatuswas setup to synthesize titania nanoparticles by the oxidation and hydrolysis of titanium tetrachloride at high temperatures. Experimental investigation verified some results obtained from thermodynamic and particle-dynamic computations.     

Influence of flow field scaling on flashback of swirl flames

In this paper, the effect of geometrical scaling on the onset of flashback into a cylindrical premixing zone of a swirl flame is investigated. We discriminate two types of flashback. In the first type of flashback the flame propagates upstream inside an already present axial recirculation zone. This flashback is caused by turbulent burning along the vortex axis (TBVA¹) and is controlled by flame extinction inside the recirculation zone. The second type of flashback is caused by combustion induced vortex breakdown (CIVB²). This type of flashback is characterised by the aerodynamic influence of the combustion heat release that leads to propagation of the axial recirculation zone and the flame in upstream direction.To study the effects of geometrical scaling on the flow fields and the two types of flashback, the operation of two geometrically scaled burners are compared at equal Reynolds number. By this method it is possible to observe the flashback phenomena in similar swirl flow fields but with different turbulent scales affecting the combustion process. To check flow field similarity and to indentify the flashback type, the non-reacting and reacting flow fields have been examined by planar particle imaging velocimetry and simultaneous recording of the flame luminescence.It is shown that geometrical scaling of the burner shifts the equivalence ratio at which flashback occurs and that this shift is different for the two types of flashback. Consistency and inconsistency with known scaling and stability criterions is discussed. Analysing the fluid dynamics and turbulent combustion gives a first explanation of why CIVB and TBVA are affected differently by geometrical scaling at constant Reynolds number which is in good agreement with the experimental observations.     

Research on nucleation and coagulation of nanoparticles in parallel twin jets

The large eddy simulation method has been used to simulate the diffusion of H2SO4 vapor in the parallel twin jets.The distributions of number concentration and size of nanoparticles produced by nucleation and coagulation in sulfuric acid/water system are given.The functions of the sulfur content,relative humidity and jet Reynolds number are evaluated according to the distributions of number concentration and size of nanoparticles.The results show that the nucleation in sulfuric acid/water system produces large number of nanoparticles ,and gas-to-nanoparticle conversion mostly takes place in the middle and interface of the twin jets.The coagulation process of particles reduces the number concentration,while increases the mean particle size.For the case with higher sulfur content,more number and smaller size nanoparticles are produced by nucleation and coagulation.There is also a larger number of nanoparticles for the cases with higher relative humidity and jet Reynolds number.     

Large eddy simulations of a turbulent thermal plume

Large eddy simulations of a three-dimensional turbulent thermal plume in an open environment have been carried out using a self-developed parallel computational fluid dynamics code SMAFS (smoke movement and flame spread) to study the thermal plume’s dynamics including its puffing, self-preserving and air entrainment. In the simulation, the sub-grid stress was modeled using both the standard Smagorinsky and the buoyancy modified Smagorinsky models, which were compared. The sub-grid scale (SGS) scalar flux in the filtered enthalpy transport equation was modeled based on a simple gradient transport hypothesis with constant SGS Prandtl number. The effect of the Smagorinsky model constant and the SGS Prandtl number were examined. The computation results were compared with experimental measurements, thermal plume theory and empirical correlations, showing good agreement. It is found that both the buoyancy modification and the SGS turbulent Prandtl number have little influence on simulation. However, the SGS model constant C _s has a significant effect on the prediction of plume spreading, although it does not affect much the prediction of puffing.     

纳米W粉冲击烧结的分子动力学模拟

粉末冲击烧结是制备高品质W的一种有效方法，而分子动力学方法在尺度极小、过程迅速的数值模拟上有着独特的优势。因此运用分子动力学方法，结合W的嵌入原子势，对常温下的纳米W粉末的冲击烧结过程进行模拟，得到颗粒微观压实过程图、体系速度分布云图、p-U_p、T-U_p、T-p曲线以及径向分布函数。研究了不同颗粒速度及产生的射流对纳米W粉末冲击烧结影响，分析了微观冲击烧结机理。结果表明，低速冲击条件下（500 m/s以下），纳米颗粒无法压实。高速条件下（1 000 m/s及以上），颗粒能获得致密化很高的压实。颗粒间的相互挤压造成的高应力使颗粒表面的原子发生流动变形，原子向颗粒间空隙流动，形成压实。颗粒间产生的射流以及高速冲击导致的颗粒熔化，均促进烧结获得致密度更高的烧结体。     

Two phase mixed convection Al2O3–water nanofluid flow in an annulus

Heat transfer enhancement of a mixed convection laminar Al₂O₃–water nanofluid flow in an annulus with constant heat flux boundary condition has been studied employing two phase mixture model and effective expressions of nanofluid properties. The fluid flow properties are assumed constant except for the density in the body force, which varies linearly with the temperature (Boussinesq’s hypothesis), thus the fluid flow characteristics are affected by the buoyancy force. The Brownian motions of nanoparticles have been considered to determine the effective thermal conductivity and the effective dynamic viscosity of Al₂O₃–water nanofluid, which depend on temperature. Three-dimensional Navier–Stokes, energy and volume fraction equations have been discretized using the finite volume method while the SIMPELC algorithm has been introduced to couple the velocity–pressure. Numerical simulations have been presented for the nanoparticles volume fraction (?) between 0 and 0.05 and different values of the Grashof and Reynolds numbers. The calculated results show that at a given Re and Gr, increasing nanoparticles volume fraction increases the Nusselt number at the inner and outer walls while it does not have any significant effect on the friction factor. Both the Nusselt number and the friction coefficient at the inner wall are more than their corresponding values at the outer wall.