A Moment Method of the Log-Normal Size Distribution with the Critical Size Limit in the Free-Molecular Regime

The present work proposes new formulations of the moment in the free-molecular size regime involving (1) boundary equations at the critical size for evaporation, condensation, and nucleation, and (2) b coefficient functions for coagulation that are improved by two parameters (standard deviation and nondimensional critical size). Using these formulations based on the error function, the critical particle size is readily introduced into the log-normal moment method for applications in general aerosol dynamics. In the situation that the particle size distribution is located near the critical size, the proposed moment method (which considers the critical size limit) improves predictions of total particle number and particle volume concentrations as compared with previously well-used log-normal moment methods for sizes ranging from 0 to ∞. However, as the size distribution approaches to the continuum size regime, the influence of the critical size becomes smaller. Thus, the new formulations are expected to improve microphysical parameterization in the free-molecular regime in aerosol-transport models.

Copyright 2014 American Association for Aerosol Research     

A numerical aerosol model Fractal Aggregate Moment Model (FAMM) to simulate simultaneous nucleation,coagulation, surface growth,and sintering of fractal aggregates

Particles generated from high-temperature processes often attain an aggregate structure, with physical and chemical properties and health impacts dependent on the particles’ size and morphology. A numerical aggregate model is a useful tool to produce well-controlled ceramic particles and to predict the production of particulate air contaminants. Although extensive efforts have been directed at developing accurate and fast-running numerical aerosol codes that can model the formation and growth of aerosol aggregates using the framework of the log-normal (LN) moment method, none developed thus far can account for the bimodal particle size distribution and aggregate morphology simultaneously. In this study, two previous models, a bimodal LN model for spherical particles and a unimodal LN model for fractal aggregates, are extended to fabricate a bimodal LN model for fractal aggregates. By tracing five time-dependent variables for the particle phase, the present model can predict the formation of nucleus particles from a gas precursor and the change in the particle size distribution and morphology. Nucleation, surface growth, intramodal and intermodal coagulation, sintering, and condensational obliteration are taken into account. Numerical experiments performed for validating the new model showed that it is a robust and efficient tool for predicting both aggregate particle size distribution and morphology. The proposed model is expected to be a useful tool for simulating the formation and growth of fractal aggregate particles in multidimensional spatial domains requiring a fast-running aerosol model.

Copyright © 2019 American Association for Aerosol Research     

New scheme for implementing the method of moments with interpolative closure

This article presents a new scheme for implementing the method of moments with interpolative closure (MOMIC), which was proposed by Frenklach and Harris in 1987. The new scheme can be implemented with arbitrary moment sequences. A new interpolation scheme, which is implemented among the square root of logarithms of newly defined normalized moments, was verified to be suitable for interpolation with only three known data points. The new scheme was applied to studies on Brownian coagulation in both free-molecular and continuum-slip regimes. The new MOMIC with integer moment sequence was verified to exhibit nearly identical accuracy to its original version as well as other state-of-the-art numerical methods, including QMOM, TEMOM, and log MM, and higher accuracy than these referenced numerical methods as the fractional moment sequence was employed. The study enhances the capability of the MOMIC for solving population balance equations.

© 2017 American Association for Aerosol Research     

Error estimation of TEMOM for Brownian coagulation

In the present study, the error estimation of Taylor series expansion method of moment (TEMOM) for particle population balance equation due to Brownian coagulation is proposed. The app-roximation introduced by Taylor series polynomials has two parts: one is the approximation of nonlinear collision kernel, and the other is the approximation of higher and fractional particle moment. The results show that the two kinds of errors have the same order in the original TEMOM model, which is related to the third derivative of collision kernel and the first four integer order particle moments, i.e., M₀, M₁, M₂, and M₃. Based on the lognormal size distribution assumption, the system errors are obtained for different TEMOM models due to Brownian coagulation; and all the errors are small and acceptable. The results have confirmed the validity of TEMOM model.

Copyright © 2016 American Association for Aerosol Research     

Numerical simulation of parallel-plate particle separator for estimation of charge distribution of PM2.5

A numerical simulation of an instrument that is used to measure the charging state of PM2.5 is conducted in order to clarify its measurement uncertainty and to improve its performance. The instrument, a parallel-plate particle separator (PPPS), is designed to classify aerosol particles according to their charging states and measure their quantities. The trajectories of submicron particles in the PPPS are numerically analyzed using the Lagrangian particle tracking method, taking into account the Brownian force and the electrostatic force. First, it is confirmed that the deterioration in the classification accuracy observed in the experiment is due to Brownian diffusion. The optimal condition that improves the accuracy is investigated through a parametric study by varying the balance of flow rates at the inlets, the geometry of the inlet and exit sections, and the applied voltage. It is found that decreasing the flow rate of the central inlet for aerosol or narrowing the central inlet improves the accuracy. The dependence of the accuracy on the flow rate is found to be in accordance with the experimental results. For charged particles, an optimum voltage that maximizes the classification accuracy is found. On the basis of the simulation results, we propose a method to determine the charge distribution of aerosol from the number of particles counted at each exit of the PPPS. In the test assuming aerosol in the air, the charge distribution determined from the number count at the exits is found to perfectly agree with the charge distribution specified at the inlet.

Copyright © 2019 American Association for Aerosol Research     

Measurement of the Nanoparticles Distribution in Flat and Pleated Filters During Clogging

It is currently admitted that for each filtration process using pleated filters, at least three steps can be distinguished: depth and surface filtration, which are common to flat filters, and surface reduction. This step is caused by inefficient filling of the pleat due to the filter geometry. For combustion aerosol, it has been proved that this third step strongly depends on the filtration velocity resulting in an increase of the resistance when air flow decreases. This observation leads one to think that Brownian diffusion, higher for low velocities, could influence the clogging dynamic of a pleated filter.

In this article, a protocol derived from the dust cake preparation method published by Schmidt is developed. The aim of this study is to measure the aerosol penetration inside a filter media as well as in a pleat using a scanning electronic microscope and energy dispersive X-ray spectroscopy elementary detection. This method has also been extended to the study of pleated filters to measure the particle distribution inside the pleat. Filters were loaded with nanoparticles in order to evaluate the specificity of the diffusional regime on the clogging of pleated HEPA filters. For pleated filters, two filtration velocities were investigated: 2.5 and 0.2 cm/s.

Copyright 2014 American Association for Aerosol Research     

Combination of Chemical Coagulation and Photo-Fenton Oxidation Process for the Treatment of Beet Sugar Industry Wastewater: Optimization of Process Conditions by Response Surface Methodology

The beet sugar industry generates large volumes of wastewater with high levels of chemical oxygen demand (COD) and color content, which are discharged into the nearby environment without adequate treatment. The aim of this study was to investigate the treatment possibility of this wastewater by using the photo-Fenton oxidation combined with a coagulation process. Central composite design and response surface methodology were used to evaluate the relationships between color and COD reduction and the photo-Fenton oxidation parameters (i.e. Fenton’s reagent dosage, pH, and reaction time).

The combined treatment results showed 59% of COD and 83.9% of color removal were obtained at optimum conditions (pH: 6.2; Fe²⁺ dosage: 20 ppm; H₂O₂ dosage: 1500 ppm; and reaction time of 15 min). Finally, the results of gel permeation chromatography showed that low molecular weight fraction of the wastewater impurities is more degraded than high molecular weight fraction during oxidation/coagulation process. Therefore, the results obtained from this study showed that an appropriate combined method for the treatment of beet sugar industry wastewater can be designed and implemented.     

Modeling Critical Air Exchange Rates (CAERs) for aerosol number concentrations from nano-particle sources using an “effective coagulation coefficient” approach

An important issue in the context of air pollution by indoor combustion sources pertains to the joint effect of source strength, coagulation, and ventilation rate on the ultrafine particle exposure metrics. It was recently predicted by detailed numerical analysis of the Smoluchowski coagulation equation with continuous source and sink terms that the ultrafine particle number, mass, and surface area concentrations do not monotonically decrease with increasing air exchange rate, but display peak concentrations at certain Critical Air Exchange Rates (CAERs). As these results are of considerable significance for exposure assessment as well as for implementing particle control technologies, it is necessary to assess the CAER for different aerosol characteristics. Given the fact that the numerical method of solving coagulation equation with realistic Fuchs kernel is computationally intensive, simpler semi-analytical approaches are desired for providing reasonable estimates of CAER and clearer insight into the counter-intuitive, peaking behavior. In this article, we present such an approach by replacing the Fuchs kernel by a spectrum-averaged effective coagulation coefficient, within the framework of the steady-state model. The effective coagulation coefficient is size independent but depends implicitly on the aerosol concentration thus capturing the combined effect of coagulation and removal processes. The number concentrations obtained from this method have been compared and validated against the numerical solutions. The model predicts more pronounced effects on the peaking behavior as well as larger CAER values for fractal particles as compared to compact particles. The results are further discussed.

Copyright © 2017 American Association for Aerosol Research     

Do ozone and boric acid affect microleakage in class V composite restorations?

The aim of this in vitro study was to evaluate the effects of chlorhexidine gluconate (2%), sodium hypochloride (2.5%), ozone gas, and boric acid at different concentrations (1%, 3%, 5%, and 7%) on microleakage from composite restorations.

In a total of 80 extracted human canine teeth, a class V cavity was opened on the buccal surface and the samples were separated into eight groups. In the control group, no procedure was applied for cavity disinfection, then composite restoration (Z250, 3M) was made using single-stage, self-etch adhesive (Single Bond 3M). In the other groups, seven different disinfectants were used, then the cavity was restored. The teeth were split into two in the buccolingual direction, parallel to the long axes. Stain penetration was examined under stereomicroscope and scored. Examination with SEM was made on one sample from each group, selected at random. Statistical evaluations were made using Dunnett C Post Hoc Comparison and Kruskal–Wallis H tests.

In the occlusal region evaluation, the groups with the lowest level of leakage were the 3% and 5% boric acid groups, and the highest levels of microleakage were determined in the chlorhexidine group and the 1% boric acid group. In the gingival region, the lowest level of microleakage was in the 5% boric acid group and the highest levels were determined in the 1% and 7% boric acid groups.

Boric acid disinfectants used at suitable concentrations were not seen to create a risk in respect of microleakage.     

A MAGIC concept for self-sustained,water-based,ultrafine particle counting

A self-sustaining, motion-tolerant, water-based condensation particle counter (CPC) has been designed, fabricated, and tested. Referred to as “MAGIC” for moderated aerosol growth with internal water cycling, the particle size response is similar to the 5-nm cut-point commercial CPCs. MAGIC is a laminar-flow instrument with three temperature stages: cool, warm, and cool. The middle warm-walled stage initiates the condensational growth and the final cool-walled stage maintains supersaturated conditions while recovering water vapor. By using a continuous wick throughout all three stages, the system recharges itself through a combination of water condensate from the sampled airstream and recovery of water vapor from the peak supersaturation region. A reservoir-less prototype system based on this concept was built and tested. Experiments show equal performance in any orientation, upright or inverted, and tolerance to tipping, shaking and vibrational shocks up to 5?g. Under mild ambient conditions, it provided multi-week operation without replenishing the wick.

Copyright © 2018 American Association for Aerosol Research     

Experimental and numerical characterization of shape memory polymer and metal laminates

The interface strength of a Shape Memory Polymer – Stainless Steel (SMP-SS) laminate system has been studied under a wide range of test conditions. The adhesive strength of the laminates has been explored using the peel test at room temperature as well as the glass transition temperature of the SMP. The analysis was also repeated at varying speeds and SMP thickness in order to quantify the effect of strain rate and adherend thickness on the bond strength of the laminate.

The experimental tests have been validated using finite element analysis of the SMP – SS laminate system. The finite element study further explores the role of polymer stresses and strains in the polymer film and adhesive layer in inducing delamination and wrinkling.

Significant decrease in strains in the adherend are observed on increasing its thickness. The adhesive strength of the laminate system is found to decrease at higher temperatures. Also the adherend is observed to wrinkle at longitudiunal strains nearing 35%.     

Models for the bead mobility technique: A droplet-based viscometer

Better understanding the properties of organic aerosols (OA) is attracting increasing attention because of the important role they play in climate change. The viscosity of OA has been shown to range from liquid to solid/semi-solid across the range of atmospheric relative humidity. A method known as the “bead-mobility technique” has been developed to quantify the viscosity of an atmospheric particle over a range of atmospherically relevant humidities. The method is based on the assumption that the strength of the flow recirculation inside a droplet placed in a shear flow is related to the droplet viscosity. This article presents a simple analytical model which predicts the internal flow in the droplet and provides a correlation relating the strength of the flow in the droplet to its viscosity. The validity of this analytical model is assessed by comparing the analytical results with a corresponding two-phase flow simulation with a moving mesh which captures the motion of the interface. The ability of the analytical model to reproduce experimental data reported in the literature is also quantified. The reasonable agreement between the analytical model and the experimental data confirms that the droplet velocity provides a useful proxy to estimate the droplet viscosity for small liquid samples for which standard viscometry techniques do not apply.

Copyright © 2019 American Association for Aerosol Research     

Calibration of a particle mass spectrometer using polydispersed aerosol particles

Routine calibrations of online aerosol chemical composition analyzers are important for assessing data quality during field measurements. The combination of a differential mobility analyzer (DMA) and condensation particle counter (CPC) is a reliable, conventional method for calibrations. However, some logistical issues arise, including the use of radioactive material, quality control, and deployment costs. Herein, we propose a new, simple calibration method for a particle mass spectrometer using polydispersed aerosol particles combined with an optical particle sizer. We used a laser-induced incandescence–mass spectrometric analyzer (LII-MS) to test the new method. Polydispersed aerosol particles of selected chemical compounds (ammonium sulfate and potassium nitrate) were generated by an aerosol atomizer. The LII section was used as an optical particle sizer for measuring number/volume size distributions of polydispersed aerosol particles. The calibration of the MS section was performed based on the mass concentrations of polydispersed aerosol particles estimated from the integration of the volume size distributions. The accuracy of the particle sizing for each compound is a key issue and was evaluated by measuring optical pulse height distributions for monodispersed ammonium sulfate and potassium nitrate particles as well as polystyrene latex particles. A comparison of the proposed method with the conventional DMA-CPC method and its potential uncertainties are discussed.

Copyright © 2018 American Association for Aerosol Research     

Purification of tetrahydrofuran from its aqueous azeotrope by extractive distillation: Validation of model and simulation

Tetrahydrofuran (THF) purification by distillation is difficult due to the existence of its homogeneous, minimum boiling azeotrope with water. Previously conducted extractive distillation runs were used in this work to validate a rigorous model.

The validated model was then used to arrive at a feasible range of operating parameters by performing sensitivity analysis. It is shown through simulations that with the correct operating parameters, use of dimethyl sulfoxide can help obtain almost pure THF.     

A comparison of spherical and cylindrical microparticles composed of nanoparticles for pulmonary application

Nano-embedded microparticles represent promising carrier systems to tackle the challenges of nanoparticle delivery into the lungs by inhalation. While spray drying is widely used for the incorporation of nanoparticles into microparticles, the template-assisted technique is a novel method to prepare aspherical, cylindrical microparticles composed of nanoparticles. In this work, both techniques were applied to produce both spherical and cylindrical nano-embedded microparticles. For both geometries particles consisting of gelatin nanoparticles, mannitol and leucine were prepared in three different sizes each. Cylindrical microparticles could be prepared with defined dimensions and narrow size distributions, allowing to target a wide range of aerodynamic diameters. The size of spherical microparticles was influenced by the spraying feed concentration, yielding only small differences in geometric and aerodynamic diameters and broad particle size distributions. Regarding the redispersibility of the nano-embedded microparticles, spherical particles showed better disintegration behavior and higher nanoparticle release in comparison to cylindrical particles upon contact with water. The template-assisted technique yielded higher nanoparticle content in contrast to spray drying. In summary, cylindrical particles represent a promising drug delivery system with high potential for later application. However, further improvements in the preparation method are required to enable higher yields and a possible later scale-up.

Copyright © 2018 American Association for Aerosol Research     

MECHANISM OF CLASSIFICATION IN A STURTEVANT-TYPE AIR CLASSIFIER

The estimation of air velocity distributions and particle trajectories is inevitable to analyse the mechanism of classification, but the direct measurement of il is extremely difficult.

The authors, here report three dimensional air velocity distributions within the inside drum of model Sturtevant-type air classifier measured by a spherical five-holed Pitot-lube, and also two dimensional particle ejecting velocities on a model distributor determined by photography.

Using those results, the cut size calculated from particle trajectories in the classifier is compared with the experimental results and theoretical values.     

Highly-Efficient Sulfonated UiO-66(Zr) Optical Fiber for Rapid Detection of Trace Levels of Pb2+

Lead detection for biological environments, aqueous resources, and medicinal compounds, rely mainly on either utilizing bulky lab equipment such as ICP-OES or ready-made sensors, which are based on colorimetry with some limitations including selectivity and low interference. Remote, rapid and efficient detection of heavy metals in aqueous solutions at ppm and sub-ppm levels have faced significant challenges that requires novel compounds with such ability. Here, a UiO-66(Zr) metal-organic framework (MOF) functionalized with SO3H group (SO3H-UiO-66(Zr)) is deposited on the end-face of an optical fiber to detect lead cations (Pb2+) in water at 25.2, 43.5 and 64.0 ppm levels. The SO3H-UiO-66(Zr) system provides a Fabry–Perot sensor by which the lead ions are detected rapidly (milliseconds) at 25.2 ppm aqueous solution reflecting in the wavelength shifts in interference spectrum. The proposed removal mechanism is based on the adsorption of [Pb(OH2)6]2+ in water on SO3H-UiO-66(Zr) due to a strong affinity between functionalized MOF and lead. This is the first work that advances a multi-purpose optical fiber-coated functional MOF as an on-site remote chemical sensor for rapid detection of lead cations at extremely low concentrations in an aqueous system.     

Extension of the Smoluchowski Theory to Transitions from Dilute to Dense Regime of Brownian Coagulation: Triple Collisions

In order to study the transition from dilute (controlled by binary collisions) to dense (controlled by multiple collisions) regime of coagulation of colloidal or aerosol suspensions, the Smoluchowski equation is generalized by consideration of triple collisions in the kinetic approach, recently proposed by the authors for coagulation of comparable size particles. A good agreement of the new model predictions with more general results of the direct numerical simulations by Langevin dynamics (from the literature) is attained in a relatively wide range of the fractional volume, corresponding to the transition from dilute to dense regime of coagulation dynamics, in which multiple collisions among more than three particles can be neglected.

Copyright 2014 American Association for Aerosol Research     

The Palladium(II) Complex of Aβ4−16 as Suitable Model for Structural Studies of Biorelevant Copper(II) Complexes of N-Truncated Beta-Amyloids

The Aβ4−42 peptide is a major beta-amyloid species in the human brain, forming toxic aggregates related to Alzheimer’s Disease. It also strongly chelates Cu(II) at the N-terminal Phe-Arg-His ATCUN motif, as demonstrated in Aβ4−16 and Aβ4−9 model peptides. The resulting complex resists ROS generation and exchange processes and may help protect synapses from copper-related oxidative damage. Structural characterization of Cu(II)Aβ4−x complexes by NMR would help elucidate their biological function, but is precluded by Cu(II) paramagneticism. Instead we used an isostructural diamagnetic Pd(II)-Aβ4−16 complex as a model. To avoid a kinetic trapping of Pd(II) in an inappropriate transient structure, we designed an appropriate pH-dependent synthetic procedure for ATCUN Pd(II)Aβ4−16, controlled by CD, fluorescence and ESI-MS. Its assignments and structure at pH 6.5 were obtained by TOCSY, NOESY, ROESY, 1H-13C HSQC and 1H-15N HSQC NMR experiments, for natural abundance 13C and 15N isotopes, aided by corresponding experiments for Pd(II)-Phe-Arg-His. The square-planar Pd(II)-ATCUN coordination was confirmed, with the rest of the peptide mostly unstructured. The diffusion rates of Aβ4−16, Pd(II)-Aβ4−16 and their mixture determined using PGSE-NMR experiment suggested that the Pd(II) complex forms a supramolecular assembly with the apopeptide. These results confirm that Pd(II) substitution enables NMR studies of structural aspects of Cu(II)-Aβ complexes.     

Observations of a Correlation Between Primary Particle and Aggregate Size for Soot Particles

For decades, soot has been modeled as fractal-like aggregates of nearly equiaxed spherules. Cluster–cluster aggregation simulations, starting from a population of primary particles, give rise to structures that closely match real aerosols of solid particles produced in flames. In such simulations, primary particle size is uncorrelated with aggregate size, as all aggregates contain primary particles drawn from the same population. Aerosol measurements have been interpreted with this geometric model. Examination of transmission electron micrographs of soot samples from various sources shows that primary particle sizes are not well mixed within an aerosol population. Larger aggregates tend to contain larger primary particles and the variation in size is much larger between aggregates than within aggregates. The soot sources considered here are all substantially not well-mixed (aircraft jet engine, inverted diffusion flame, gasoline direct injection engine, heavy-duty compression ignition engine). The observed variations in primary particle size can be explained if soot aggregates are formed and grew by coagulation in small zones of the combustion chamber, prior to dilution and transport (with minimal coagulation) to the sampling system.

Copyright 2014 American Association for Aerosol Research