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We study the variation of the adhesion forces between wet TiO2 nanoparticles as a function of their size and the ambient relative humidity. Combining all-atom molecular dynamics and capillary simulations we demonstrate that the linear scaling of the interparticle forces with the particle diameter, well established for microscopic and macroscopic particles, can be extended down to diameters of a few nm. At this size scale, however, the molecular nature of the water adsorbates dictates the adhesion forces both via solvation effects and influencing parameters of analytical capillary models such as the equilibrium particle–particle separation distance and the water/particle contact angle. Moreover, the water surface tension becomes considerably larger than the macroscopic bulk value due to combined effects of thin-film confinement and tight curvature, in a way that strongly depends on humidity and particle size. Taking these effects into proper account, classical capillary equations can be used to predict the...

Capillary forces are very important considering the handling of powders as they, in general, exceed other adhesion forces. These capillary forces are dependent on several different parameters. Especially the distance between the particles is an important parameter. For example, in moving bulk solids a large variety of distances between particles will occur. Therefore, the distance-dependence of capillary bridges was investigated with a numerical simulation method, assuming thermodynamic equilibrium which is attained very fast for small particles. This method uses the Kelvin equation and the Young-Laplace equation to calculate numerically the shape of the capillary bridge without any assumption regarding the shape. The force is eventually derived from the meniscus shape. The distance becomes extremely important when the capillary liquid bridge between two surfaces is only determined by capillary condensation depending on relative humidity. Only a slight increase of the distance within the fraction of a nanometer changes the behaviour of the capillary force significantly. Furthermore, the influence of the force on the separation of particles will be presented. The force decreases almost linearly with increasing distance for a wide range of distances and consequently, a contact stiffness for capillary bridges could be derived. These results may e.g. be used in DEM models. Also, the maximum separation distance of capillary bridges in thermodynamic equilibrium and the correlation with the according bridge volume was investigated. As two limiting cases for capillary bridges at varying distances one can assume either a constant curvature, i.e. infinitely fast attainment of equilibrium, or a constant volume, i.e. infinitely slow attainment of equilibrium. Therefore, a comparison of these two possibilities will be presented and discussed as well.

The conditioning of the aerosol particle population into a bipolar charge equilibrium is an essential prerequisite to calculate the particle number size distribution using mobility particle size spectrometers. This is commonly realized by diffusion charging of bipolar air ions generated by e.g. a 85Kr source. Because of strict legal regulations on radioactive sources in several countries, soft-X-ray (SXR) appears as a suitable alternative. However, multiple measurements showed a systematical and significant difference between the particle charge distribution delivered by a radioactive source and an SXR charger, respectively. In this investigation, a calibrated particle charge distribution, suitable for the SXR chargers, was calculated based on the Fuchs model. An approximation analogous to the commonly used Wiedensohler approximation formula ( Wiedensohler, 1988 ) was computed. The use of the new SXR approximation of the bipolar charge equilibrium for the inversion of an electrical mobility distribution to a particle number size distribution improves the comparability of these results, compared to measurements involving a 85Kr charger or to bipolar chargers using radioactive material in general. A systematic error in case of using the SXR charger could be eliminated and hence the root mean square deviation could be reduced from 13% using the common parameters for both charger types to 7% using the new SXR approximation for the SXR bipolar charger.

An essential part of mobility particle size spectroscopy is the prediction of the aerosol charge distribution in a highly concentrated bipolar ion environment. This charge distribution can be readily calculated, but is depending on several environmental conditions. These influences are investigated theoretically. The first part of this work deals with a sensitivity analysis using the Fuchs model ( Fuchs, 1963 ) to determine the variation of the resulting charge distributions depending on the input parameters. It is demonstrated, that the main influencing variable is the difference between the positive and negative ion mobility. A sensitivity analysis reveals that a reasonable variation of the ion mobilities may lead to variations of the particle density distribution up to±20%. The second part investigates the evolution of the charge distribution along the tubing downstream of the bipolar charger exit starting with equal ion concentrations for positive and negative ions. Due to wall losses depending on ion mobility a non-equilibrium charge distribution is developing along the plumbing. The evolution of the particle charge distribution is determined using a coupled population balance model. Even though the non-equilibrium character is clearly shown, it turns out that this effect is negligible at conditions typical for particle size measurements.

We investigated an explanation for the length dependence of apparent wall slip in capillary and slit die experiments that had been implied in earlier studies. Firstly, we used a very long slit die fitted with six equidistant pressure transducers and an adjustable outlet. It was found that, all other parameters being equal, the impact of pressure on the flow behavior of suspensions was not different from the impact on the unfilled matrix fluid. Particle-related properties, such as apparent wall slip, were therefore not influenced by pressure as assumed by other authors. Secondly, we determined wall slip velocities by both the Mooney method and numerical simulation, based on an implementation of Phillips constitutive equation for particle migration. This led to a similar length dependence of wall slip as had been reported in an earlier work. We concluded that this was due to the transient nature of particle migration and its interrelationship with apparent wall slip, rather than an influence of pressure.

Wood-Plastic-Composite (WPC) zeigen im Vergleich zu reinen Kunststoffen ein sehr unterschiedliches und uberaus komplexes Material- und Fliesverhalten. Letzteres ist fur die Verarbeitung der Composite von entscheidender Bedeutung. Im Folgenden werden die Ergebnisse rheologischer Charakterisierungen sowie einiger Untersuchungen zum Fullverhalten im Spritzgiesprozess dargestellt. Dabei werden auch auftretende Herausforderungen und mogliche Losungsansatze diskutiert. Wood-plastic composites (WPC) show a complex and completely different material and flow behavior in comparison to pure polymers. Especially the flow behavior is very important for the processing of these composites. In the following article results of rheological characterization and investigations of the filling behavior during the injection molding process are presented. Furthermore, appearing challenges and possible methods of resolution are discussed.

This work investigates the mechanisms which lead to the formation of silicon nanoparticles with narrow size distributions by means of population balance modeling. The model accounts for the full aerosol process, including chemical reaction, nucleation from supersaturated vapor, growth and agglomeration. The results are in good agreement with experimental data. The effects of the process parameters temperature, silane concentration and reactor total pressure are systematically investigated. The simulation allows an in-depth insight into the particle formation mechanism and reveals the key requirements which are necessary for the generation of narrow particle size distributions. In this mechanism, only a short nucleation burst occurs, while surface growth plays the dominant role in silane precursor consumption. A key role is attributed to condensation, because the numerical calculations can only reflect the experimental observations, if the condensation mechanism is included in the model.

A study on the feasibility of aerosol processing of nearly monodisperse silicon nanoparticles via pyrolysis of monosilane in a hot wall reactor is presented. For optimal conditions silicon nanoparticles with a geometric standard deviation of 1.06 were synthesized at a production rate of 0.7 g/h. The size of the particles could be precisely controlled in the range of 20–40 nm, whilst maintaining a geometric standard deviation in the range of 1.06–1.08, by proper choice of the governing parameters temperature, residence time and precursor concentration. The results show that narrow particle size distributions can only be obtained in the temperature range between 900 and 1100 °C, as long as both the initial silane concentration (1 mbar silane partial pressure) and the reactor total pressure are low (25 mbar). This regime for the production of narrow particle size distributions has not been identified in prior work on the thermal decomposition of silane. Narrowly distributed particles can be obtained under conditions where nucleation and particle growth are separated and the agglomeration rates are negligible.

In this work, a new model for the simulation of nanostructured aggregates by simultaneous coagulation, sintering and surface growth is presented. Coagulation is treated as cluster–cluster agglomeration along the line connecting the center of mass of both agglomerates and is implemented using a Monte Carlo algorithm. Sintering is modeled as successive overlapping of spheres which cause reduction in the surface area based on a rate law for surface reduction. Surface growth is modeled as an increase in primary particle diameter, e.g. as a result of surface reactions. The evolved aggregates are analyzed by calculating their fractal dimension, radius of gyration, mobility diameter and mobility shape factor. It is found that the aggregates structure tends to be more compact when introducing the surface growth in shorter time comparing to the coagulation-sintering step only. Fractal dimension and the mobility shape factor of the resulting aggregates are correlated to an effective dimensionless time that combines the characteristic times of these three fundamental mechanisms. It is shown that the mobility diameter in the free molecular regime is not proportional to the radius of gyration. A power law relation that correlates the aggregates projected area and the equivalent number of primary particles is found to be in a very good agreement with estimates published in literature.

The study presents first experimental results of the transfer of magnetite nanoparticles from an aqueous to a second non-miscible non-aqueous liquid phase. The transfer is based on the adsorption of macromolecular surfactants onto the particle surface at the liquid–liquid interface. For a successful direct phase transfer, it is essential to have cations, like ammonium ions, present in the aqueous phase as well as a threshold concentration of surfactant in the organic liquid phase. While penetrating the liquid–liquid interface, the particles are covered with the surfactant and therefore a partial de-agglomeration is initiated. Based on literature and experimental data a mechanism of surfactant adsorption is proposed. The competing adsorption of the surfactant molecules at the liquid–liquid interface leads to the formation of emulsions and therefore to a hindrance for particles passing the interface. Nevertheless a high efficiency of 100% yield can be reached using optimized process parameters for the phase transfer process.

Modeling of particle deposition on adjacent walls is a key issue in various applications like separation or transport processes. The present paper focuses on the modeling of turbophoretic deposition of particles in the micron size range. The first step is to evaluate the important range where turbophoresis plays an important role in comparison to other mechanisms e.g. gravity or electrostatic separation. The disadvantages of commonly used models will be analyzed and overcome by implementing a more sophisticated approach considering damping of turbulent fluctuations in the wall-boundary layer. In contrast to previous work, commonly used turbulence models are applied to solve the mean flow field of the examples under consideration. The results will show a good prediction of particle deposition in comparison to experimental values [B.Y.H. Liu, J.K. Agarwal, Experimental observation of aerosol deposition in turbulent flow, Aerosol. Sci. 5 (1974) 145–155.] by using the advanced model.

Nanoparticle precipitation is an interesting process to generate particles with tailored properties. In this study we investigate the impact of various process steps such as solid formation, mixing and agglomeration on the resulting particle size distribution (PSD) as representative property using barium sulfate as exemplary material. Besides the experimental investigation, process simulations were carried out by solving the full 1D population balance equation coupled to a model describing the micromixing kinetics based on a finite-element Galerkin h-p-method. This combination of population balance and micromixing model was applied successfully to predict the influence of mixing on mean sizes (good quantitative agreement between experimental data and simulation results are obtained) and gain insights into nanoparticle precipitation: The interfacial energy was identified to be a critical parameter in predicting the particle size, poor mixing results in larger particles and the impact of agglomeration was found to increase with supersaturation due to larger particle numbers. Shear-induced agglomeration was found to be controllable through the residence time in turbulent regions and the intensity of turbulence, necessary for intense mixing but undesired due to agglomeration. By this approach, however, the distribution width is underestimated which is attributed to the large spectrum of mixing histories of fluid elements on their way through the mixer. Therefore, an improved computational fluid dynamics-based approach using direct numerical simulationwith a Lagrangian particle trackingstrategy is applied in combination with the coupled population balance–micromixing approach. We found that the full DNS-approach, coupled to the population balance and micromixing model is capable of predicting not only the mean sizes but the full PSD in nanoparticle precipitation. 2005 Elsevier Ltd. All rights reserved.

Simulation results on the evolution of aggregate structure in aerosol processes with coagulation and sintering as the dominant mechanisms are presented. A model for simulation of the three-dimensional morphology of nano-structured aggregates formed by concurrent coagulation and sintering is applied. The model is based on a stochastic diffusion controlled cluster–cluster aggregation algorithm and sintering is modeled as a successive overlapping of spherical primary particles, which are allowed to grow in order to maintain mass conservation. This leads to computer simulated structured aggregates which are then subject to evaluation. Two different methods to determine the fractal dimension are presented which give comparable results. It is shown that even very small particles show the same fractal behavior. Furthermore, equilibrium structures assuming a constant ratio of the characteristic collision time to the characteristic fusion time are considered as well as the kinetics of structural changes due to a change in the ambient conditions.

This work investigates the effects of reduced accessible surface area of aggregate particles and of surface energy on relevant particle formation and growth mechanisms during titania formation from the vapour phase at industrial process conditions. Growth due to surface reaction and due to condensation is related to the fraction of the surface area that is exposed to the collision with single molecules. Surface shielding is found to hamper surface reaction and condensation once fractal aggregates start to form. It leads to significantly retarded precursor consumption and produces aggregate particles, which consist of more, but smaller primary particles. Surface energy data are varied within a range as proposed by available literature data. Moderate and high surface energy values result in a thermodynamic barrier to the formation of new particles and are shown to reduce the formation of seed particles by several orders of magnitude. This leads to the formation of aggregate particles which consist of a rather small number of primary particles and mainly grow by surface reaction. The primary contribution of condensation to growth of individual primary particles is shown to be very little. However, condensation should not be neglected as it has a strong impact on particle formation rates and hence on product characteristics such as the number of primary particles and primary particle size.

This work investigates effects of reduced accessible surface area of aggregate particles and surface energy on titania particle formation and growth. It is taken into consideration that surface-related growth mechanisms, i.e. surface reaction and condensation, are limited to the fraction of the surface area of primary particles which is exposed to the collision with single molecules. Surface energy data determine the critical particle size with respect to evaporation and values are varied within the published range. This implies to develop a model which considers “surface shielding” and accounts for the formation of stable clusters from a supersaturated vapour due to nucleation and condensation besides considering the generation of monomers due to chemical reaction, growth due to surface reaction, agglomeration and sintering. Taking the accessible surface area into account is found out to be especially important if agglomerates contain a large number of primary particles or if agglomerate structure is rather compact. In this case, precursor consumption and primary particle growth turn out to be significantly retarded. Surface energy data are shown to be decisive with respect to the thermodynamic barrier to the formation of particles, thus to active particle formation and growth mechanisms, besides affecting sintering kinetics. Elevated surface energy data typically retard precursor consumption and favour primary particle growth.

A simulation method is applied to calculate particle dynamics in electrostatic precipitators as characterised by particle flux density and concentration profiles in arbitrary channel cross-sections and flux density profiles of dust precipitated at the collecting electrodes (CEs). A simple statistical model allows the determination of confidence intervals for flux profiles. First, a ‘standard case’ considering full coupling of all physical phenomena occurring in this problem, i.e., electric field, flow field and particle dynamics is simulated. Subsequently, this standard case is compared to simulations with one quantity (e.g., electric field strength, turbulence intensity) substituted by a mean value which is homogeneously distributed in the precipitation zone. This reveals the relevance of the various physical phenomena: It turned out that the secondary flows had only a minor influence on the overall particle precipitation although they cause some ‘patterning’ of local precipitation. Turbulence inhomogeneity shows a stronger effect on particle dynamics. However, the electric field appears to be by far the most important quantity in simulating particle dynamics. Consequently, in order to achieve most reasonable simulation results for a given numerical effort most attention has to be devoted to field calculations, including correct boundary conditions.

The emphasis of the study presented is on a new process of particle extraction to transfer magnetite nanoparticles from an aqueous into an immiscible organic phase directly through the liquid-liquid interface. For the production of high-quality organosols, stabilized colloidal and functionalized particles are required in a liquid organic phase. The mechanism of phase transfer is initiated by adsorption and chemical binding of surfactants (fatty acids) at the particle surface. The resulting physico-chemical dispersion of the hydrophobically modified particles leads to the formation of the stabilized organic colloid, or organosol. The aim here is to demonstrate the entire chain of the transfer process in a continuous miniplant, which comprises particle synthesis, conditioning, and transfer, and which uses a drop column for extraction and as a transfer device. Based on the investigation of the governing principles and the material parameters, the results obtained for the transfer kinetics in the individual contact devices (centrifuge, single-drop column, and drop column for different operations) are used for the dimensioning of the entire process chain.

Polymer laser sintering (LS) is an important additive manufacturing (AM) technology. Individual and complex parts are directly produced from CAD data without the need of specific tools. The raw material is a polymer powder, which is deposited layerwise and melted selectively with a laser. Built parts are embedded in residual unmolten powder, the so-called part cake, which undergoes thermal ageing effects due to the exposure to high temperatures for long times during the manufacturing process. Hence, the recyclability of the unmolten powder is limited. This article focuses on a fundamental analysis of the ageing kinetics dependent on time, temperature, and oxygen content in the gas atmosphere. A model is developed and applied to measured, position-dependent process temperature histories to successfully predict the ageing distribution within a part cake. The results can be used to optimize the thermal process management in LS and to develop new efficient powder recycling methods. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45435.

The reproducibility and reliability of quality aspects are an important challenge of the polymer laser sintering process. However, existing quality concepts and standardization activities considering influencing factors along the whole process chain have not been validated experimentally yet. In this work, these factors are analyzed and kept constant to obtain a reliable material data set for different layer thicknesses and testing temperatures. In addition, material qualities regarding powder ageing effects are analyzed using different build heights and layer thicknesses: while an increase of the layer thickness reduces mechanical part strength and density, it also results in a less intense thermal ageing of unmolten powder due to shorter build times.

Laser Sintering is a powder based additive manufacturing technology. The amount of used powder, which is not sintered, can be refreshed and used for further building jobs. Due to cost reduction, better mechanical properties and a simpler processing it is reasonable to combine virgin and used powder for part manufacturing. During the building time the powder is thermally loaded and its structure is changed. State of the art in laser sintering is a defined powder ratio. Since the powder ageing depends on the individual history of sintering, this procedure cannot ensure a defined powder quality. However, for a serial production it is necessary to characterize the raw material, as well as all other steps along the process chain, in order to ensure a high reproducibility and reliability. Rheological, physical and particle properties are considered to correlate powder and chosen material properties. Different powder qualities adjusted by the Melt Volume Rate (MVR) are tested using promising rheological properties like viscosity or molecular weight. Investigations about powder bed density, bulk properties as well as thermal characterization complement the experimental setup. These parameters are correlated with mechanical, electrical, thermal and physical material properties of laser sintered parts. The most important influencing factors along the process chain are kept constant. At the end a procedure is shown to obtain a defined powder quality. This procedure will be transferred to other materials and will be tested using other laser sintering machines of the same type as well as other types.

Mixing and consequently fluid dynamic is a key parameter to tailor the particle size distribution (PSD) in nanoparticle precipitation. Due to fast and intensive mixing a static T-mixer configuration is capable for synthesizing continuously nanoparticles. The flow and concentration field of the applied mixer is investigated experimentally at different flow rates by Particle Image Velocimetry (PIV) and Laser Induced Fluorescence (LIF). Due to the PIV measurements the flow field in the mixer was characterized qualitatively and the mixing process itself is quantified by the subsequent LIF-measurements. A special feature of the LIF set up is to detect structures in the flow field, which are smaller than the Batchelor length. Thereby a detailed insight into the mixing process in a static T-Mixer is given. In this study a CFD-based approach using Direct Numerical Simulation (DNS) in combination with the solid formation kinetics solving population balance equations (PBE) is applied, using barium sulfate as modeling material. A Lagrangian Particle Tracking strategy is used to couple the flow field information with a micro mixing model and with the classical theory of nucleation. We found that the DNS-PBE approach including macro and micro mixing, combined with the population balance is capable of predicting the full PSD in nanoparticle precipitation for different operating parameters. Additionally to the resulting PSD, this approach delivers a 3D-information about all running subprocesses in the mixer, i.e. supersaturation built-up or nucleation, which is visualized for different process variables.Copyright © 2006 by ASME