Journal of Aerosol Science最新文献

{"title":"On the use of EBRSM turbulence model to improve continuous random walk model prediction in inhomogeneous turbulent flows","authors":"C. Guaquiere ,&nbsp;F. Beaubert ,&nbsp;D. Uystepryust ,&nbsp;T. Benazzouz ,&nbsp;L. Keirsbulck","doi":"10.1016/j.jaerosci.2024.106500","DOIUrl":"10.1016/j.jaerosci.2024.106500","url":null,"abstract":"<div><div>In this paper the suitability of the normalized Langevin stochastic equation, coupled with the RMS fluctuations velocity predicted by EBRSM (Elliptic Blending Reynolds Stress Model) second order turbulence model, in inhomogeneous turbulent flows was studied. The gas-particle flow was numerically investigated by using OpenFOAM V9 CFD toolkit for two configurations. First, in a two-dimensional duct flow in which <span><math><mrow><mn>2</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>5</mn></mrow></msup></mrow></math></span> randomly distributed particles, with diameters ranging from 10 nm to 23 <span><math><mi>μ</mi></math></span>m, were introduced in the channel and followed by solving the particle equation of motion including the drag and Brownian forces under the one-way coupling assumption. The performance of the Continuous Random Walk (CRW) model with the EBRSM prediction of the Reynolds stress tensor for predicting the behavior of fluid-tracer and inertial particles in an inhomogeneous turbulent flow was examined as well as their deposition velocities. In addition, the particle laden flow inside an obstructed three dimensional channel was studied to evaluate the characteristics of particle deposition according to the ratio of rough-element spacing to its height e/H. Thus, the deposition rate on the different surfaces and the particles deposition profiles on the cavities between the rough-elements and on windward rib surfaces were evaluated for e/H = 4, 7 and 10. By exploring the concentration profiles and deposition velocities of particles, it was concluded that the Normalized-CRW model including EBRSM flow prediction leads to accurate and satisfying results, compared to the use of correlations for RMS fluctuations velocity values, and can be applied in more complex flows (such as in industrial configurations).</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"184 ","pages":"Article 106500"},"PeriodicalIF":3.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143155215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Three-dimensional aerosol printing by enlarged, optimized and charged nanoparticles","authors":"Anton Patarashvili,&nbsp;Mohammad Reza Ghorbani Fard,&nbsp;Alexey Efimov,&nbsp;Matthew Ivanov,&nbsp;Ekaterina Kameneva,&nbsp;Vladislav Davydov,&nbsp;Denis Kornyushin,&nbsp;Dmitry Maslennikov,&nbsp;Anton Shishlyannikov,&nbsp;Vitaly Torgunakov,&nbsp;Victor Ivanov","doi":"10.1016/j.jaerosci.2024.106515","DOIUrl":"10.1016/j.jaerosci.2024.106515","url":null,"abstract":"<div><div>The article explores the challenges and potential of creating micro-sized structures using metals and oxides with an aspect ratio of 1 in the field of printed electronics. Specifically, it focuses on the production of microstructures from loosely bonded metal particles with mean size from 30 to 80 nm. These conglomerates exhibit unique electrical and optical properties that differ from monolithic structures, making them a subject of special interest. The study introduces a system capable of producing porous microstructures on silicon substrates using spherical nanoparticles. This is achieved through a series of steps including synthesis, sintering, charging, and electrostatic focusing through a stainless steel ball grid array stencil. As a result, uniform Au microstructures each measuring approximately <span><math><mrow><mn>25</mn><mspace></mspace><mi>μ</mi><mi>m</mi></mrow></math></span> (through <span><math><mrow><mn>280</mn><mspace></mspace><mi>μ</mi><mi>m</mi></mrow></math></span> holes) are successfully printed across the entire surface of the stencil, which covers an area of about 0.7 cm<span><math><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup></math></span>. Moreover, the potential applications are not limited to this achievement. Furthermore, the article provides experimental evidence supporting a hypothesis regarding the diffusion mechanism responsible for the broadening of the resulting structures. This mechanism is based on the theory of charge distribution among nanoparticles during the charging process in the corona discharge region. Additionally, the study demonstrates the deposition of nanoparticles made of Ag, ZnO and SnO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> oxides using the same method. The research presents the formation of an uncharacteristic pattern associated with this deposition method, where nanoparticles are deposited in a discrete manner rather than forming continuous structures. This finding adds to the understanding of the complex behavior of nanoparticles during the printing process and opens up new avenues for further investigation in the field of printed electronics.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"184 ","pages":"Article 106515"},"PeriodicalIF":3.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143155336","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exposure of nano-sized aerosols to A549 at air liquid interface combined by condensation growth system","authors":"Erika Ito ,&nbsp;Yuko Mitera ,&nbsp;Tatsuya Oishi ,&nbsp;Chisato Amma ,&nbsp;Chigusa Matsumoto ,&nbsp;Ryo Suzuki ,&nbsp;Yayoi Inomata ,&nbsp;Takafumi Seto","doi":"10.1016/j.jaerosci.2024.106498","DOIUrl":"10.1016/j.jaerosci.2024.106498","url":null,"abstract":"<div><div>An accurate and stable experimental system for nano-sized aerosol cell exposure was established by controlling the number-based aerosol dose by using the Air-Liquid-Interface (ALI). In order to enhance deposition efficiency and to reduce cell damage as a novel approach, condensational growth process was employed. Two-dimensional monolayer of the alveolar epithelium (A549) cells was prepared at the ALI after 4-days cultivation using the membrane cell culture insert. Two types of test aerosol were generated by spray-drying the colloidal suspension of carbon black (CB) nanoparticles and using the solution of Triton-X100. Size distribution and aerosol number concentration were continuously monitored by in-flight aerosol mobility spectrometer. Dose amounts of nanoparticles to the A549 cell monolayer were evaluated with considering the number-based particle deposition efficiency at the ALI. The effect of condensation growth, in prior to the ALI exposure, was also investigated to enhance deposition efficiency and to mimic aerosol transport in the respiratory system. Cell viability, transepithelial electrical resistance with/without exposing the test particles were examined as a function of dose amount. It was found that constructed cellular systems exhibited stable cell viability against deposition of fine particles in our experimental condition (area-based mass dose of the CB &lt; 2.5 μg cm⁻²). In addition, for Triton-X100, which was used as the positive control, a similar dose-dependent cell viability was obtained between aerosol exposure and the submerged experiments. Therefore, the constructed this exposure system could be applicable to various <em>in vitro</em> experiments that require precise dose control and reproducible cell responses.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"184 ","pages":"Article 106498"},"PeriodicalIF":3.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143154930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An Eulerian CFD study for aerosol formation in a turbulent jet using the sectional method and a size-dependent particle surface tension","authors":"D. Mitrakos ,&nbsp;M. Pilou ,&nbsp;S. King ,&nbsp;A. Dehbi","doi":"10.1016/j.jaerosci.2024.106520","DOIUrl":"10.1016/j.jaerosci.2024.106520","url":null,"abstract":"<div><div>An Eulerian aerosol dynamics and transport model embedded in a general-purpose Computational Fluid Dynamics (CFD) code is presented. The model employs the sectional method for the representation of the particle size distribution and a recently developed method for the numerical solution of growth that efficiently tackles numerical diffusion. The model is used for the simulation of the experiments of (K. Lesniewski &amp; Friedlander, 1998) on homogeneous nucleation of dibutylphthalate (DBP) in a free turbulent jet. Different URANS models, including the recent STRUCT-<span><math><mrow><mi>ε</mi></mrow></math></span> model, as well as LES are used. In previous simulation studies, the spatial distribution of particle formation along the jet was reproduced by arbitrarily altering the bulk surface tension formula, an aspect that was also verified by the present simulations. In this study, however, the selection of turbulence model, notably the RNG <span><math><mrow><mi>k</mi></mrow></math></span><em>-</em><span><math><mrow><mi>ε</mi></mrow></math></span> model, was found to have a similar effect, implying that the flow, heat and vapor transport modelling may have a similar effect on the qualitative prediction of the spatial structure of nucleation. Attempting to overcome the limitations of the capillarity assumption in the Classical Nucleation Theory (CNT), a new modification of the nucleation rate formula is derived, considering a surface tension dependent on the particle size by using the Tolman length concept. This modification, with a Tolman length equal to 0.25 nm or 0.325 nm, depending on the formula for the bulk liquid surface tension for DBP, allowed the model to accurately predict the slope of the dependence of the formed particle concentration on the vapor inlet supply, which was not correctly reproduced in the previous studies. The successful use of a widespread CFD code expands significantly the pool of available computational tools for studying nucleation. Nevertheless, the conclusion of previous works that the specific experiments are difficult to simulate is also reiterated, implying that further research is needed not only to understand the limitations of the nucleation theory and their quantitative impact, but also to qualitatively predict the characteristics of the spatial structure of nucleation and condensation in turbulent aerosol flows.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"184 ","pages":"Article 106520"},"PeriodicalIF":3.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143155212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Laboratory mass spectrometry of intact atmospherically-relevant particles","authors":"Annapoorani Hariharan,&nbsp;Christopher J. Johnson","doi":"10.1016/j.jaerosci.2024.106502","DOIUrl":"10.1016/j.jaerosci.2024.106502","url":null,"abstract":"<div><div>The physical and chemical properties of atmospheric aerosols profoundly impact the climate and human health. With diameters from sub-nanometer to tens of microns, a multitude of different experimental techniques suited to specific size ranges must be employed to characterize them. While mass spectrometry can be performed <em>on</em> particles of any size by destroying them and characterizing their molecular and atomic compositions, the masses <em>of</em> atmospheric nanoparticles with sizes below 10 nm can be measured with enough precision to observe discrete changes of their chemical composition while they remain intact. This enables direct study of their structure and reactivity in well-controlled laboratory experiments, complementing ambient field measurements. Here, we review the application of mass spectrometry and unique experiments based on mass spectrometers to measure the composition, stability, structure, and formation mechanisms of aerosol particles. We discuss the instrumentation employed in these experiments, including ion mobility separation, ion trap reactivity, and laser spectroscopy, that are often combined with mass spectrometry, and highlight illustrative examples of these techniques to prototypical atmospheric nanoparticles. We also highlight emerging mass spectrometry techniques that could extend these studies to larger nanoparticles and enable new insights into current unsolved problems involving atmospheric nanoparticles.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"184 ","pages":"Article 106502"},"PeriodicalIF":3.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143155214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Shrinkage ratios and effective densities of residues formed from drying of simulated expiratory droplets","authors":"Sesan Nayak,&nbsp;Y.S. Mayya,&nbsp;Mahesh S. Tirumkudulu","doi":"10.1016/j.jaerosci.2024.106499","DOIUrl":"10.1016/j.jaerosci.2024.106499","url":null,"abstract":"&lt;div&gt;&lt;div&gt;The COVID-19 pandemic that afflicted the world recently has renewed the focus on transmission of respiratory diseases via aerosol route. An important question in this regard pertains to the size range of the droplets carrying virus that is most relevant to the transfer of pathogens released from an infected person in the course of respiratory activities, such as coughing, sneezing, speaking and breathing. The emitted droplets undergo rapid drying to form residues of nonvolatile solutes contained in the respiratory fluids. The residues may remain airborne or may settle on ground. The shrinkage ratio of the droplets have been investigated extensively to arrive at the airborne particle size range assuming typical solute concentrations in the saliva. In order to obtain a clearer understanding of the shrinkage process, it is important to examine the problem across a range of solute concentrations and test the measured shrinkage ratios against those predicted by mathematical models. From the perspective of residence times of a drying droplet in an enclosed space as well as for lung deposition, the aerodynamic diameters of the particles, rather than their physical diameters are a matter of significance, and the aerodynamic diameter is a sensitive function of the effective densities. The present work investigates both shrinkage ratios and effective densities of residue particles formed from saline solutions across a range of solute concentrations and compares the results with mathematical model of droplet drying and residue formation. The model is primarily tested for NaCl, which is most relevant to respiratory droplets, and as a part of its wider applicability, both experiments and models are compared for glucose as well. The experiments consist of subjecting the droplets placed on super-hydrophobic surfaces to evaporative drying under controlled ambient conditions at various solute concentrations. The mathematical model is based on solving the heat and mass transfer equations for drying of droplets, solute diffusion for build-up of concentration profiles and a critical supersaturation-based-nucleation model for crust formation leading to residues. The measured shrinkage ratios varied from 0.16 to 0.56 for NaCl across concentration of 2–80 kg/m&lt;sup&gt;3&lt;/sup&gt; and were in the range of 0.13–0.43 for glucose across the same range of concentrations. The model predictions agreed remarkably well with the experimental results leading closely to a concise formula: shrinkage ratio, &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;mi&gt;R&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mo&gt;/&lt;/mo&gt;&lt;msub&gt;&lt;mi&gt;ρ&lt;/mi&gt;&lt;mrow&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;f&lt;/mi&gt;&lt;mi&gt;f&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;mo&gt;/&lt;/mo&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, where, the effective density of the residue particle &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mi&gt;ρ&lt;/mi&gt;&lt;mrow&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;f&lt;/mi&gt;&lt;mi&gt;f&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;459&lt;/mn&gt;&lt;mfrac&gt;&lt;mtext&gt;kg&lt;/mtext&gt;&lt;msup&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msup&gt;&lt;/mfrac","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"184 ","pages":"Article 106499"},"PeriodicalIF":3.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143155337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"How the understanding of atmospheric new particle formation has evolved along with the development of measurement and analysis methods","authors":"Katrianne Lehtipalo ,&nbsp;Tuomo Nieminen ,&nbsp;Siegfried Schobesberger ,&nbsp;Mikael Ehn ,&nbsp;Markku Kulmala ,&nbsp;Veli-Matti Kerminen","doi":"10.1016/j.jaerosci.2024.106494","DOIUrl":"10.1016/j.jaerosci.2024.106494","url":null,"abstract":"<div><div>The chain of chemical and physical processes leading to formation of new aerosol particles from gaseous precursors vapors is often called <em>new particle formation</em> (NPF). Although first observations of atmospheric NPF date back to more than a century ago, many aspects of the phenomenon and its importance on global climate remained unknown for a long time. Along with the development of more robust measurement techniques enabling continuous field measurements of particle size distributions down to the size of recently formed particles and their precursors vapors, NPF research has taken leaps forward in the past decades. In this article we review how the new measurement methods has enabled us to observe, analyze and classify atmospheric new particle formation events and how this has changed our understanding of the process and its significance in the atmosphere.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"184 ","pages":"Article 106494"},"PeriodicalIF":3.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143154931","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A bouncing computational model of particle–mucus interaction for predictive deposition maps in the airways","authors":"Silvia Ceccacci ,&nbsp;Hadrien Calmet ,&nbsp;Abel Gargallo-Peiró ,&nbsp;Clément Rigaut ,&nbsp;Benoit Haut ,&nbsp;Guillaume Houzeaux ,&nbsp;Beatriz Eguzkitza","doi":"10.1016/j.jaerosci.2025.106536","DOIUrl":"10.1016/j.jaerosci.2025.106536","url":null,"abstract":"<div><div>In computational medicine, particle transport dynamics and deposition maps in the airways are of utmost importance in respiratory health. On the one hand, advantages include a better grasp of accurately delivering pharmaceutical drugs, enhancing treatment effectiveness, and advancing personalised medicine. On the other hand, aerosol deposition maps can improve our understanding of how viruses and bacteria infect the respiratory tract and the lung damage caused by pollutants. This work presents a novel statistical computational model to predict the deposition of solid particles in the upper airways. Unlike the classical “deposit-on-touch” condition, where a particle deposits upon touching the nasal wall, the proposed model determines deposition through particle–wall interaction, considering the surface roughness of the mucus layer coating the nasal cavity walls. Upon collision, if the particle velocity is below a critical threshold, it deposits. The model, based on experimental results from the same CT-based 3D nasal geometry, significantly improves deposition accuracy and provides a physical explanation for the deposition mechanism, offering a robust tool for predictive deposition maps in the human respiratory system.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"185 ","pages":"Article 106536"},"PeriodicalIF":3.9,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143101790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Corrigendum to “Microscopic visualization of heterogeneous condensation of water vapor on hydrophilic and hydrophobic particles” [Journal of Aerosol Science 177C (2024) 106332]","authors":"Li Lv ,&nbsp;Xiangcheng Wu ,&nbsp;Longfei Chen ,&nbsp;Junchao Xu ,&nbsp;Guangze Li ,&nbsp;Lijuan Qian","doi":"10.1016/j.jaerosci.2025.106542","DOIUrl":"10.1016/j.jaerosci.2025.106542","url":null,"abstract":"","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"185 ","pages":"Article 106542"},"PeriodicalIF":3.9,"publicationDate":"2025-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143092119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Process design for gas-phase synthesis of iron nanoparticles from iron pentacarbonyl","authors":"Hossein Rahbar,&nbsp;E. Grajales-González,&nbsp;M. Reza Kholghy","doi":"10.1016/j.jaerosci.2025.106543","DOIUrl":"10.1016/j.jaerosci.2025.106543","url":null,"abstract":"<div><div>Gas-phase synthesis of iron nanoparticles (Fe NPs) by thermal decomposition of iron pentacarbonyl, <span><math><mrow><msub><mrow><mtext>Fe</mtext><mrow><mo>(</mo><mtext>CO</mtext><mo>)</mo></mrow></mrow><mn>5</mn></msub></mrow></math></span>, is simulated using a simple particle dynamics model coupled with gas-phase chemistry. The performance of a detailed chemical kinetics model for the decomposition of <span><math><mrow><msub><mrow><mtext>Fe</mtext><mrow><mo>(</mo><mtext>CO</mtext><mo>)</mo></mrow></mrow><mn>5</mn></msub></mrow></math></span> is compared with that of a global decomposition rate. The particle dynamics model interfaces with gas-phase chemistry through particle inception and surface growth. Using the size-dependent melting temperature of primary particles (PP), the available characteristic sintering time, <span><math><mrow><msub><mi>τ</mi><mi>s</mi></msub></mrow></math></span>, for Fe NPs is modified and its performance in predicting PP diameter, <span><math><mrow><msub><mi>d</mi><mi>p</mi></msub></mrow></math></span>, is benchmarked with literature data. The modified <span><math><mrow><msub><mi>τ</mi><mi>s</mi></msub></mrow></math></span> significantly enhances the prediction of <span><math><mrow><msub><mi>d</mi><mi>p</mi></msub></mrow></math></span> and agglomerate morphology, highlighting the importance of sintering during high temperature synthesis of Fe NPs. Diagrams for the degree of hard-agglomeration are developed in terms of the reactor initial precursor concentration, maximum temperature, cooling rate, and particle residence time. The results of the PP size of Fe agglomerates are compared with TEM measurements available in the literature for the synthesis of Fe NPs. The model predictions are in good agreement with the measured <span><math><mrow><msub><mi>d</mi><mi>p</mi></msub></mrow></math></span> and concentration of Fe NPs produced by thermal decomposition of <span><math><mrow><msub><mrow><mtext>Fe</mtext><mrow><mo>(</mo><mtext>CO</mtext><mo>)</mo></mrow></mrow><mn>5</mn></msub></mrow></math></span>.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"185 ","pages":"Article 106543"},"PeriodicalIF":3.9,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143101787","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}