Bipolar diffusion charging of high-aspect ratio aerosols

Recent studies have raised concerns over applicability of the conventional charging theories to non-spherical particles such as soot aggregates and single-walled carbon nanotube aerosols of complex shape and morphology. It is expected that the role of particle structure and shape on particle diffusion charging characteristics may be significant in the submicron size range for carbon nanotubes (CNTs) and nanofibers (CNFs). In this study, we report experimental data on equilibrium charging characteristics of high-aspect ratio aerosol particles such as CNFs and multi-walled CNTs (MWCNTs) when exposed to a bipolar ion atmosphere. A neutral fraction was measured, i.e., the fraction of particles carrying no electrical charge. A differential mobility analyzer (DMA) was used to classify aerosols, leaving a bipolar radioactive charger to infer the bipolar charging characteristics at different mobility diameters in the submicron size range. The measured neutral fractions for CNF aerosol particles were lower than the corresponding Boltzmann values by 24.4%, 42.0%, and 45.8% for mobility diameters of 400 nm, 600 nm, and 700 nm, respectively, while the neutral fractions for measured aerodynamic diameters of 221 nm, 242 nm, and 254 nm were much lower than those expected by Boltzmann charge distribution, by 43.8%, 63.1%, and 67.3%, respectively. Neutral fractions of spherical particles of polystyrene latex (PSL) and diethylhexyl sebacate (DEHS) particles, measured under identical experimental conditions and procedure, agreed well with the Boltzmann charge distribution. The measured neutral fractions for MWCNT aerosol particles were lower than the corresponding Boltzmann values by 22.3%–25.0% for mobility diameters in the size range from 279 nm to 594 nm. Charging-equivalent diameters of CNF particles correlated well with either mobility diameter or equal-area diameter, which were found to be larger than their mobility or equal-area diameters by up to a factor of 5 in the size range of 400 nm–700 nm, while those of MWCNT particles were larger than the corresponding diameters by a factor of 2 in the size range of 279 nm–594 nm.     

A numerical method for the analysis of polydisperse aerosol particles charging in a coaxial electrode system

In this paper, charging kinetics of polydisperse aerosol particles in a corona field of a coaxial electrode system is numerically analyzed for a logarithmic normal distribution of aerosol particle size. The particle charging and the particle current are calculated by using a charging model considering ion concentration and particle mobility. Particle charging profiles under varying ion density and electrical field intensity distributions of the charging chamber were revealed. A low charging profile in the transition region of bipolar corona field was demonstrated in the simulation results.     

Progress in unipolar corona discharger designs for airborne particle charging: A literature review

Particle motion induced by electrical forces is the basis for important class of measuring instruments. Charging is important in aerosol size measurement. Unipolar charger is a crucial component in the aerosol particle sizing system by electrical mobility analysis. For an electrical mobility analyzer, the charging is aimed to impose a known net charge distribution on each aerosol size. The charger performance depends on the charging efficiency and stable operation. A well-designed unipolar charger should provide high charging efficiency and stability that can be accurately determined for any given operating conditions. This article presents and discusses progress on the development of existing unipolar aerosol chargers based on corona discharge technique. The operating principles as well as detailed physical characteristics of these chargers, including the corona-wire and corona-needle chargers, are described with extensive list of references.     

工业中粉体颗粒的荷电机理及数值模拟方法

工业过程中粉体颗粒不可避免地会相互摩擦碰撞而荷电. 荷电颗粒的存在可能会危害正常的工业生产过程, 也可能对工业过程起促进作用. 因此, 荷电粉体颗粒及其特性受到了广泛的关注, 但目前对粉体颗粒的荷电机理依然缺乏透彻的了解, 尤其是在气固两相流动中的粉体颗粒荷电现象. 事实上, 工业中存在的粉体颗粒的运动都受到流体的影响, 是典型的气固两相流系统, 流体对粉体颗粒的作用使粉体颗粒接触的荷电现象变得更为复杂, 因此从两相流动的观点来研究粉体颗粒荷电的物理本质就显得越来越重要. 本文介绍了工业过程中的几种不同类型的粉体颗粒荷电行为, 回顾了颗粒的荷电机理与描述颗粒荷电的数学模型. 对于工业过程中颗粒的荷电现象及颗粒在多相流体中的动力学行为, 介绍了研究颗粒受流体影响时荷电特性的数值模拟方法. 本文旨在对粉体颗粒的荷电机理、应用以及研究方法进行梳理与探讨, 为正确认识工业过程中粉体颗粒的荷电现象并加以控制利用提供理论借鉴.     

Coagulation of charged particles in a dusty plasma

An investigation is made of characteristic features in the behavior of small particles in a dusty plasma attributable partly to the suppression of coagulation as a result of monopolar charging for particle sizes smaller than the Debye shielding length and partly to the reduction in the effect of charging for larger particles. Similarity relations linking the plasma composition and particle charge with the parameters of the dust component are used to determine the range of parameters for which the linear approximation of the particle charge as a function of their sizes holds. A modified classical theory of coagulation in the diffusion approximation is used to study some anomalies in the behavior of the particle size distribution. It is established that unlike an ordinary aerosol, in a dusty plasma the dispersion of the distribution and the average particle size may decrease with time. It is shown for the first time that a long-lived “quasi-liquid” state of a dusty plasma may be established as a result of the anomalous behavior of the size distribution function of coagulating charged particles.     

Particle dynamics simulations of triboelectric charging in granular insulator systems

Particle dynamics simulations are carried out to study triboelectric charging in granular systems composed of a single insulating material. The simulations implement a model in which electrons trapped in localized high energy states can be transferred during collisions to low energy states in the other particle. It is shown that this effect alone can generate electrostatic charging in the system, and cause net electron transfer from larger particles to smaller particles. The magnitude of charging is small for systems of a single particle size but becomes much greater for a system with polydispersal particle sizes, due to the net electron transfer from larger to smaller particles. The negative charge of smaller particles, and positive charge of larger particles has been observed in field studies and laboratory experiments of granular systems.     

A Novel Method for Inhalation Control of Workplace Anthropogenic Pollutant Particles

This in vitro study investigated electrically charging effect on the deposition of inhaled workplace anthropogenic pollutant particles (APP) in a hollow throat cast model. Many occupational lung diseases are associated with exposure to workplace dust particles and other pollutants. Since the human throat is an effective filter, this study devised a novel idea of charging particles, and studying their deposition in the throat. Simulated workplace aerosol particles were generated from a commercially available nebulizer, and charged by a corona charger. Charged and uncharged particles were allowed to pass through a polyester resin cast of cadaver based throat, a replicate of a human oropharyngeal region. The aerosol particles' size and charge distribution were characterized by an Electronic Single Particle Aerodynamic Relaxation Time (ESPART) analyzer before and after passing the throat cast. The ESPART operates on the principle of Laser Doppler Velocimetry to measure simultaneously aerodynamic diameter and electrostatic charge on a single particle basis and in real time. The study results revealed that electrically charging increased agglomeration of smaller particles and increased deposition. Deposition of charged particles increased with increasing particle size which can be explained as the effect of inertial impaction.     

In Situ Charge Characterization of TiO<Subscript>2</Subscript> and Cu–TiO<Subscript>2</Subscript> Nanoparticles in a Flame Aerosol Reactor

Charge distribution characteristics were investigated for nanoparticles synthesized in a diffusion flame aerosol reactor. The nanoparticles considered were pristine TiO₂ and Cu–TiO₂, with Cu dopant concentrations ranging from 1 to 5 wt% with particle size from 25 to 60 nm. In situ measurements were conducted by integrating a tandem differential mobility analyzer (TDMA) experimental setup with the flame aerosol reactor. A charging model was used to identify the important parameters that govern the two charging mechanisms (diffusion and thermo-ionization) in the flame and their relative importance at different operating parameters. The results indicate that TiO₂ and Cu–TiO₂ nanoparticles carry single as well as double unit charges. The charged fraction depends on particle size as well as on dopant concentration. The charged fraction increased with increasing particle size and decreased with copper dopant concentration. Measured charged fractions were similar for both the polarities at different mobility diameters. Based on the flame operating parameters, the calculations indicate that diffusion charging is dominant in the flame, which is consistent with the experimental results.     

A new event-driven constant-volume method for solution of the time evolution of particle size distribution

Direct simulation Monte Carlo (DSMC) method is an important approach for numerical solution of the population balance equation, which characterizes the dynamic evolution of particle size distribution in dispersed systems. One sample of the whole system (i.e., subsystem) is taken into account in most DSMC methods. It means that a spatially-isotropic whole system is considered, and simulation particles having same number weight are tracked. A new event-driven constant-volume (EDCV) method for population balance modeling is proposed to describe the dynamic evolution in dispersed systems under influence of coagulation, breakage, nucleation, surface growth/dissolution (condensation/evaporation) and deposition (settling). The method adopts the concept of differentially weighting simulation particles, and several schemes of sample restoration are developed to maintain simulation particle number within prescribed bounds, at the same time the constant-volume computational domain is tracked. By comparing of several popular Monte Carlo methods, it is concluded that the proposed EDCV method exhibits comparatively high precision and efficiency.     

Synthesis of nanoclusters by nanosecond laser ablation: Direct simulation Monte Carlo modelling

Collisional processes leading to the formation of nanoparticles in a laser-ablated plume are numerically simulated with the aid of an atomistic-level model based on direct simulation Monte Carlo (DSMC) method. The formation of nanoparticles in nanosecond laser ablation of a mono-atomic target is investigated in the presence of an inert background gas. The DSMC procedure is modified in order to account for numerous plume species and to describe several reactions (i.e., recombination/dissociation, sticking, evaporation) taking place in the plume and affecting the size and spatial distribution of the produced nanoclusters. Calculation results allow us to visualize the nanoparticles and to correlate their space distributions with plume dynamics. In addition, cluster size distributions are investigated at different pressures. The effects of the background gas on cluster formation within the plume are furthermore shown.     

Effect of particle size distribution on the polarity of triboelectric charging in granular insulator systems

Triboelectric charging occurs in granular insulating systems even when all particles are composed of identical material. A simple model is used here to address triboelectric charging in such systems. The basis of the model is the existence of electrons trapped in high-energy states, which can be released during collisions with another particle and transferred to the other particle. This model shows that triboelectric charging in insulator systems composed of particles of identical material can be attributed to a distribution of particle sizes, such that smaller particles tend to charge negatively and larger particles tend to charge positively. This polarity of charging has been observed in field studies of sand storms, dust devils and volcanic plumes, and most laboratory experiments on triboelectric charging in granular systems.     

A differentially weighted Monte Carlo method for two-component coagulation

The direct simulation Monte Carlo (DSMC) method for population balance modeling is capable of retaining the history of each simulation particle and is thus able to deal with multivariate properties in a simple and straightforward manner. As opposed to conventional DSMC approaches that track equally weighted simulation particles, a differentially weighted Monte Carlo method is extended to simulate two-component coagulation processes and is thereby able to simulate the micromixing of the components. A new feature of the method for this bivariate population balance modeling is that it is possible to specify how the simulation particles are distributed over the compositional axis. This allows us to obtain information about particles in those regions of the size and composition distribution functions where the non-weighted MC methods place insufficient simulation particles to obtain an inaccurate solution. The new feature results in lower statistical noise for simulating two-component coagulation, which is validated by using two-component coagulation cases for which analytical solutions exist (a discrete process with sum kernel for initial monodisperse populations and a process with constant kernel for initial polydisperse populations).     

Targeted deposition of Au aerosol nanoparticles on vertical nanowires for the creation of nanotrees

Complex tree-like nanostructures with controlled morphology are becoming increasingly important for the development of nanoscale devices. The position of branches on III–V semiconductor nanotrees is determined by the distribution of Au seed particles. Here we report the dependence of the distribution of Au aerosol nanoparticles on nanowires on parameters including distance between wires, particle size, wire length, wire diameter, III–V material and particle charge. It was observed that different wire lengths and separation distances as well as different particle polarities have a significant effect on the resulting particle distribution while different wire diameters, particle diameters, materials and deposition voltages do not.     

月表尘埃颗粒带电的机理及应用研究

研究月尘颗粒在电子束环境下以及紫外源辐照下的带电机理,利用数值方法模拟月尘颗粒在不同背景环境下的充电过程,以探索月表尘埃颗粒的带电机理,进而便于地面月尘环境模拟装置选择合适的月尘带电方式进行空间模拟实验.给出了尘埃在电子束环境下的充电方程,并将紫外辐射带电与具体应用相结合.通过模拟结果可知,在电子束环境下,月尘表面的电荷数随粒径尺寸增大,随电子枪辐照束斑半径减少,随电子枪流强的增加而增多;在紫外源的辐照下,月尘表面电荷数随颗粒尺寸的增大以及紫外线辐照度的增加而增多.由月尘颗粒受太阳紫外辐照带电的数值模拟结果可知,月尘需要在太阳长时间的辐照下才可以带上可观的电荷数,地面模拟该过程需增加辐照源来加速实验.通过模拟结果的分析比较并结合"空间环境模拟装置"中对月尘舱的设计要求,最终优选紫外源辐照带电方式作为月尘颗粒的带电方案.     

Simulation of Nanoparticle Production in Premixed Aerosol Flow Reactors by Interfacing Fluid Mechanics and Particle Dynamics

The interaction of fluid mechanics and particle dynamics at the very early stages of flame synthesis largely affects the characteristics of the product powder. Detailed simulations provide a better understanding of these processes, which take place in a few milliseconds, and offer the possibility to influence the product characteristics by intelligent selection of the process parameters. The present paper reports on the simulation of titania powder formation by TiCl₄ oxidation in an aerosol flow reactor. A commercially available fluid mechanics code is used for the detailed calculation of the fluid flow and the chemical reaction at non-isothermal conditions. This code is then interfaced with a model for aggregate particle dynamics neglecting the spread of the particle size distribution. The simulation shows the onset of the particle formation in the reactor and calculates the dynamic evolution of the aggregate particle size, number of primary particles per aggregate and the specific surface area throughout the reactor. The presented, newly developed calculation technique allows for the first time the simulation of particle formation processes under the authentic, complex conditions as found in actual aerosol reactors.     

Atomistic hybrid DSMC/NEMD method for nonequilibrium multiscale simulations

A multiscale hybrid method for coupling the direct simulation Monte Carlo (DSMC) method to the nonequilibrium molecular dynamics (NEMD) method is introduced. The method addresses Knudsen layer type gas flows within a few mean free paths of an interface or about an object with dimensions of the order of a few mean free paths. It employs the NEMD method to resolve nanoscale phenomena closest to the interface along with coupled DSMC simulation of the remainder of the Knudsen layer. The hybrid DSMC/NEMD method is a particle based algorithm without a buffer zone. It incorporates a new, modified generalized soft sphere (MGSS) molecular collision model to improve the poor computational efficiency of the traditional generalized soft sphere GSS model and to achieve DSMC compatibility with Lennard-Jones NEMD molecular interactions. An equilibrium gas, a Fourier thermal flow, and an oscillatory Couette flow, are simulated to validate the method. The method shows good agreement with Maxwell–Boltzmann theory for the equilibrium system, Chapman–Enskog theory for Fourier flow, and pure DSMC simulations for oscillatory Couette flow. Speedup in CPU time of the hybrid solver is benchmarked against a pure NEMD solver baseline for different system sizes and solver domain partitions. Finally, the hybrid method is applied to investigate interaction of argon gas with solid surface molecules in a parametric study of the influence of wetting effects and solid molecular mass on energy transfer and thermal accommodation coefficients. It is determined that wetting effect strength and solid molecular mass have a significant impact on the energy transfer between gas and solid phases and thermal accommodation coefficient.     

Simulation of unsteady flows by the DSMC macroscopic chemistry method

In the Direct Simulation Monte-Carlo (DSMC) method, a combination of statistical and deterministic procedures applied to a finite number of ‘simulator’ particles are used to model rarefied gas-kinetic processes. In the macroscopic chemistry method (MCM) for DSMC, chemical reactions are decoupled from the specific particle pairs selected for collisions. Information from all of the particles within a cell, not just those selected for collisions, is used to determine a reaction rate coefficient for that cell. Unlike collision-based methods, MCM can be used with any viscosity or non-reacting collision models and any non-reacting energy exchange models. It can be used to implement any reaction rate formulations, whether these be from experimental or theoretical studies. MCM has been previously validated for steady flow DSMC simulations. Here we show how MCM can be used to model chemical kinetics in DSMC simulations of unsteady flow. Results are compared with a collision-based chemistry procedure for two binary reactions in a 1-D unsteady shock-expansion tube simulation. Close agreement is demonstrated between the two methods for instantaneous, ensemble-averaged profiles of temperature, density and species mole fractions, as well as for the accumulated number of net reactions per cell.     

Three-dimensional numerical studies on the effect of the particle charge to mass ratio distribution in the electrostatic coating process

Charge to mass ratio is a crucial parameter that governs the behavior of particle trajectories in a charged cloud of particles. The complex nature of the charging process limits our ability to accurately determine the charging level when particles of varying size are present. Using a numerical approach, it is possible, however, to take into account predefined values for this parameter. In this paper, the average charge to mass ratio and the distribution of the charge to mass ratio in the coating of a flat target were systematically varied to demonstrate their effect on the motion of the charged particles. The results show that the transfer efficiency increases as the average charge to mass ratio increases. It was found that the transfer efficiency is a weak function of the average particle size in the range tested and that it increases as the width of the size distribution increases.