Pub Date : 2025-05-25DOI: 10.1016/j.jaerosci.2025.106620
Ondrej Mišík , František Prinz , Jakub Elcner , Matouš Cabalka , Miloslav Bělka , František Lízal
Breathing flow rate profiles are crucial for predicting aerosol drug delivery. While aerosol particle characteristics are determined by the inhalation device, breathing profiles are patient-specific, making them an essential topic for personalized medicine.
This study investigates the influence of nebulizer pressure drop on breathing profiles and subsequent aerosol deposition within human airways. Ten male subjects performed spontaneous, and slow and deep breathing manoeuvres through three different nebulizers (one jet and two mesh nebulizers). Breathing profiles were recorded, and the impact of nebulizer pressure drop on flow rate profiles was analyzed. Computational modelling of airway aerosol deposition was performed for particles ranging from 1 to 10 μm in diameter, based on the recorded boundary conditions.
The jet nebulizer exhibited the most significant flow rate decrease due to its high pressure drop, increasing particle deposition in the lower airways. These findings are important for personalized modelling and the application of a digital twin approach in treatment design, leading to more effective and targeted drug delivery.
{"title":"Influence of nebulizer pressure drop on breathing profiles and aerosol deposition in human airways","authors":"Ondrej Mišík , František Prinz , Jakub Elcner , Matouš Cabalka , Miloslav Bělka , František Lízal","doi":"10.1016/j.jaerosci.2025.106620","DOIUrl":"10.1016/j.jaerosci.2025.106620","url":null,"abstract":"<div><div>Breathing flow rate profiles are crucial for predicting aerosol drug delivery. While aerosol particle characteristics are determined by the inhalation device, breathing profiles are patient-specific, making them an essential topic for personalized medicine.</div><div>This study investigates the influence of nebulizer pressure drop on breathing profiles and subsequent aerosol deposition within human airways. Ten male subjects performed spontaneous, and slow and deep breathing manoeuvres through three different nebulizers (one jet and two mesh nebulizers). Breathing profiles were recorded, and the impact of nebulizer pressure drop on flow rate profiles was analyzed. Computational modelling of airway aerosol deposition was performed for particles ranging from 1 to 10 μm in diameter, based on the recorded boundary conditions.</div><div>The jet nebulizer exhibited the most significant flow rate decrease due to its high pressure drop, increasing particle deposition in the lower airways. These findings are important for personalized modelling and the application of a digital twin approach in treatment design, leading to more effective and targeted drug delivery.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"188 ","pages":"Article 106620"},"PeriodicalIF":3.9,"publicationDate":"2025-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195093","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}
Pub Date : 2025-05-24DOI: 10.1016/j.jaerosci.2025.106617
Ruiping Ma PhD , Feilun Yang , Yusheng Wang , Zehui Li , Luyao Zhang PhD , Botao Wang , Guoxi Zheng PhD , Jingliang Dong PhD , Lin Tian PhD , Ya Zhang PhD
Background
Postoperative Platanus orientalis L. deposition post high risk to allergen distribution in human sinonasal cavities. Due to the nature of its complex fibrous characteristics, limited research has provided a quantitative measure for accurate exposure analysis, which are critical for understanding nasal pathological and allergenic correlations.
Methods
Utilizing a complete dynamic transport model capturing both the coupled translation and rotation motion, fibrous particles deposition in 24 adult sinonasal cavity models were analyzed. The interactions between the length, aspect ratio, and airflow on fibers deposition were revealed.
Results
Fibers mainly deposited in the nasal vestibule and anterior septum. As the respiratory flow rate increases, the inhalability of fibers dominated by inertial deposition significantly increases in the nasal cavity, however with no significant change in the deposition site. As the fiber length increases, the inhalability of the fibrous particles decreases. When the diameter is the constant, the inhalability of 90 μm fibers in the nasal cavity is significantly higher than that of longer fibers. Compared to healthy individuals, more fibers can penetrate deeper into the main nasal cavity in post-Functional Endoscopic Sinus Surgery (post-FESS) nasal cases.
Conclusion
Platanus orientalis L. fibers are inertia dominated and can be inhaled into the nasal cavity with deposition mainly occur in the nasal vestibule and anterior septum, this could potentially lead to allergic rhinitis. The deposition of elongated fibers and spherical particles varies with their aerodynamic diameters. Although both healthy and post-operative nasal cavities are all subject to this inhalation exposure, post-operative individuals are more vulnerable. Research findings emphasize the need for inhalation protection for post-FESS individuals during the mature season of Platanus orientalis L. fruit.
{"title":"Numerical analysis of Platanus orientalis L. microfiber inhalation exposure in human sinonasal cavities","authors":"Ruiping Ma PhD , Feilun Yang , Yusheng Wang , Zehui Li , Luyao Zhang PhD , Botao Wang , Guoxi Zheng PhD , Jingliang Dong PhD , Lin Tian PhD , Ya Zhang PhD","doi":"10.1016/j.jaerosci.2025.106617","DOIUrl":"10.1016/j.jaerosci.2025.106617","url":null,"abstract":"<div><h3>Background</h3><div>Postoperative <em>Platanus orientalis</em> L. deposition post high risk to allergen distribution in human sinonasal cavities. Due to the nature of its complex fibrous characteristics, limited research has provided a quantitative measure for accurate exposure analysis, which are critical for understanding nasal pathological and allergenic correlations.</div></div><div><h3>Methods</h3><div>Utilizing a complete dynamic transport model capturing both the coupled translation and rotation motion, fibrous particles deposition in 24 adult sinonasal cavity models were analyzed. The interactions between the length, aspect ratio, and airflow on fibers deposition were revealed.</div></div><div><h3>Results</h3><div>Fibers mainly deposited in the nasal vestibule and anterior septum. As the respiratory flow rate increases, the inhalability of fibers dominated by inertial deposition significantly increases in the nasal cavity, however with no significant change in the deposition site. As the fiber length increases, the inhalability of the fibrous particles decreases. When the diameter is the constant, the inhalability of 90 μm fibers in the nasal cavity is significantly higher than that of longer fibers. Compared to healthy individuals, more fibers can penetrate deeper into the main nasal cavity in post-Functional Endoscopic Sinus Surgery (post-FESS) nasal cases.</div></div><div><h3>Conclusion</h3><div><em>Platanus orientalis</em> L. fibers are inertia dominated and can be inhaled into the nasal cavity with deposition mainly occur in the nasal vestibule and anterior septum, this could potentially lead to allergic rhinitis. The deposition of elongated fibers and spherical particles varies with their aerodynamic diameters. Although both healthy and post-operative nasal cavities are all subject to this inhalation exposure, post-operative individuals are more vulnerable. Research findings emphasize the need for inhalation protection for post-FESS individuals during the mature season of <em>Platanus orientalis</em> L. fruit.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"188 ","pages":"Article 106617"},"PeriodicalIF":3.9,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204989","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}
Pub Date : 2025-05-24DOI: 10.1016/j.jaerosci.2025.106592
Filippo Zacchei , Francesco Lucci , Edo Frederix , Sina Tajfirooz , Arkadiusz K. Kuczaj
Conducting computational simulations of multispecies aerosols poses considerable challenges, predominantly due to the intricate confluence of multiphysical properties and diverse scales characteristics to aerosol processes. Arising modeling complexities require the use of various co-existing submodels and substantial computational resources for the resolution of the required scales. AeroSolved was introduced and developed to overcome some of these constraints, facilitating simulations of multispecies evolving aerosols in the drift-flux mixture model formulation with large particle number densities by taking advantage of the Eulerian framework. Here, we analyze and assess the underlying models by applying appropriate boundary conditions for accurate predictions of aerosol deposition, including gas phase absorption. Particular attention is given to the modeling of inhalation flows in which the gas–liquid mass transfer between the phases is taken into account, together with increased water condensation due to high humidity conditions present in the airways. The condensation or evaporation of gas species at the wall is represented via the application of Raoult’s law, including activity coefficients corrections for non-ideal mixture behavior. A set of boundary conditions with increasing levels of complexity are presented, starting from the deposition of non-evolving dry particles to liquid multispecies particles in the presence of water-saturated wet walls. Drift-flux model formulation requires particular attention to the common use of no-slip boundary conditions for aerosol particles. The verification cases delineate boundary conditions and deliver benchmark data for further validation despite the limited availability of existing experimental data for such aerosol flow conditions. Finally, the developed boundary conditions are applied to a transient aerosol inhalation flow scenario in the geometry of a bent pipe with wet walls, mimicking a simplified upper respiratory tract shape. Such geometrically simplified configuration allows for an exhaustive examination of simulations sensitivities and achievable numerical accuracy for applied various computational mesh densities. Developed boundary conditions, together with delivered numerical studies including examples of their application with obtained computational mesh-independent predictions for the aerosol deposition, can be readily applied in more complex geometry scenarios, including realistic human upper respiratory cast models, and serve aerosol dosimetry purposes.
{"title":"AeroSolved: Wall boundary conditions for liquid multispecies aerosol deposition at transient and high-humidity flows","authors":"Filippo Zacchei , Francesco Lucci , Edo Frederix , Sina Tajfirooz , Arkadiusz K. Kuczaj","doi":"10.1016/j.jaerosci.2025.106592","DOIUrl":"10.1016/j.jaerosci.2025.106592","url":null,"abstract":"<div><div>Conducting computational simulations of multispecies aerosols poses considerable challenges, predominantly due to the intricate confluence of multiphysical properties and diverse scales characteristics to aerosol processes. Arising modeling complexities require the use of various co-existing submodels and substantial computational resources for the resolution of the required scales. AeroSolved was introduced and developed to overcome some of these constraints, facilitating simulations of multispecies evolving aerosols in the drift-flux mixture model formulation with large particle number densities by taking advantage of the Eulerian framework. Here, we analyze and assess the underlying models by applying appropriate boundary conditions for accurate predictions of aerosol deposition, including gas phase absorption. Particular attention is given to the modeling of inhalation flows in which the gas–liquid mass transfer between the phases is taken into account, together with increased water condensation due to high humidity conditions present in the airways. The condensation or evaporation of gas species at the wall is represented via the application of Raoult’s law, including activity coefficients corrections for non-ideal mixture behavior. A set of boundary conditions with increasing levels of complexity are presented, starting from the deposition of non-evolving dry particles to liquid multispecies particles in the presence of water-saturated wet walls. Drift-flux model formulation requires particular attention to the common use of no-slip boundary conditions for aerosol particles. The verification cases delineate boundary conditions and deliver benchmark data for further validation despite the limited availability of existing experimental data for such aerosol flow conditions. Finally, the developed boundary conditions are applied to a transient aerosol inhalation flow scenario in the geometry of a bent pipe with wet walls, mimicking a simplified upper respiratory tract shape. Such geometrically simplified configuration allows for an exhaustive examination of simulations sensitivities and achievable numerical accuracy for applied various computational mesh densities. Developed boundary conditions, together with delivered numerical studies including examples of their application with obtained computational mesh-independent predictions for the aerosol deposition, can be readily applied in more complex geometry scenarios, including realistic human upper respiratory cast models, and serve aerosol dosimetry purposes.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"188 ","pages":"Article 106592"},"PeriodicalIF":3.9,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168578","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}
Pub Date : 2025-05-20DOI: 10.1016/j.jaerosci.2025.106606
Torben N. Rüther , David B. Rasche , Hans-Joachim Schmid
In many cases particle characterization is not trivial, so that data inversion routines are needed in order to determine particle size distributions from measurement data. In particular, determination of two-dimensional particle property distributions, which are very valuable for analyzing complex shaped particles, results in large ill-posed systems of equations which are challenging to be solved. In this paper the Projections onto Convex Sets (POCS) method is implemented for solving such problems in particle characterization for the first time. The POCS method is an iterative algorithm which allows the use of all available information about the distribution to significantly reduce the number of potential solutions. Here, the application of this method is shown for the example of a Centrifugal Differential Mobility Analyzer (CDMA), which measures the number concentration of a nanoscaled aerosol after classification in a gap between two concentric cylinders with a combination of different voltages and angular speeds, i.e. controlled electrical and centrifugal forces. The application of the POCS algorithm to this problem comprising the formulation of appropriate boundary conditions and projection operators to include all available information, is described in detail. Further on, the implementation of the algorithm is explained. The algorithm is then used to invert constructed ideal data and constructed data with superimposed noise. It is demonstrated that the POCS algorithm in either case is well suited to obtain a stable and efficient inversion of the measurement data and to obtain highly accurate 2-dimensional particle property distributions with respect to mobility equivalent diameter and Stokes diameter, respectively. Finally, the algorithm is applied to real measurement data obtained from a prototype of the new device to derive real 2D density distributions.
{"title":"The POCS-Algorithm—An effective tool for calculating 2D particle property distributions via data inversion of exemplary CDMA measurement data","authors":"Torben N. Rüther , David B. Rasche , Hans-Joachim Schmid","doi":"10.1016/j.jaerosci.2025.106606","DOIUrl":"10.1016/j.jaerosci.2025.106606","url":null,"abstract":"<div><div>In many cases particle characterization is not trivial, so that data inversion routines are needed in order to determine particle size distributions from measurement data. In particular, determination of two-dimensional particle property distributions, which are very valuable for analyzing complex shaped particles, results in large ill-posed systems of equations which are challenging to be solved. In this paper the Projections onto Convex Sets (POCS) method is implemented for solving such problems in particle characterization for the first time. The POCS method is an iterative algorithm which allows the use of all available information about the distribution to significantly reduce the number of potential solutions. Here, the application of this method is shown for the example of a Centrifugal Differential Mobility Analyzer (CDMA), which measures the number concentration of a nanoscaled aerosol after classification in a gap between two concentric cylinders with a combination of different voltages and angular speeds, i.e. controlled electrical and centrifugal forces. The application of the POCS algorithm to this problem comprising the formulation of appropriate boundary conditions and projection operators to include all available information, is described in detail. Further on, the implementation of the algorithm is explained. The algorithm is then used to invert constructed ideal data and constructed data with superimposed noise. It is demonstrated that the POCS algorithm in either case is well suited to obtain a stable and efficient inversion of the measurement data and to obtain highly accurate 2-dimensional particle property distributions with respect to mobility equivalent diameter and Stokes diameter, respectively. Finally, the algorithm is applied to real measurement data obtained from a prototype of the new device to derive real 2D density distributions.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"188 ","pages":"Article 106606"},"PeriodicalIF":3.9,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144146872","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}
Pub Date : 2025-05-18DOI: 10.1016/j.jaerosci.2025.106615
Mohammad Rahimi-Gorji , Lotte Desmet , Stéphane Dorbolo , Charlotte Debbaut , Sarah Cosyns , Wouter Willaert , Wim Ceelen
Intraperitoneal aerosolized drug delivery (IPADD) is a minimally invasive technique for treating peritoneal metastasis (PM), combining laparoscopy with locoregional chemotherapy delivery as an aerosol. This study investigated key operating and physical parameters affecting IPADD performance, focusing on aerosolization pressure, droplet size distribution (DSD), and spray cone angle using six commercialized nebulizers: Nebulizer 770-12 (REGER Medizintechnik), CapnoPen™(CapnoPharm), HurriChem™ (ThermaSolutions), MCR-4 TOPOL™ (Skala), QuattroJet™ (REGER Medizintechnik), and MiniJet (REGER Medizintechnik) in a reconstructed peritoneal cavity model. Results indicated notable variations in nebulizer performance. Nebulizer 770-12, CapnoPen, and HurriChem showed similar technical characteristics and reliable performance. DSD analysis showed bimodal distributions, with MiniJet and HurriChem producing small droplets (10–20 μm), while MCR-4 TOPOL generated larger droplets due to its larger orifice and distinctive design. Spray cone angle measurements demonstrated that higher flow rates slightly improved dispersion, with the MCR-4 TOPOL achieving the widest angles. Optimal flow rates for uniform spray patterns varied, with CapnoPen and HurriChem performing well at lower rates, while MCR-4 TOPOL and QuattroJet required higher flow rates (>1.0 mL/s). This comprehensive evaluation provides valuable insights to optimize nebulizer selection and aerosolized drug delivery for improved IPADD efficacy.
{"title":"Operating characteristics of nebulizers used for intraperitoneal aerosolized drug delivery","authors":"Mohammad Rahimi-Gorji , Lotte Desmet , Stéphane Dorbolo , Charlotte Debbaut , Sarah Cosyns , Wouter Willaert , Wim Ceelen","doi":"10.1016/j.jaerosci.2025.106615","DOIUrl":"10.1016/j.jaerosci.2025.106615","url":null,"abstract":"<div><div>Intraperitoneal aerosolized drug delivery (IPADD) is a minimally invasive technique for treating peritoneal metastasis (PM), combining laparoscopy with locoregional chemotherapy delivery as an aerosol. This study investigated key operating and physical parameters affecting IPADD performance, focusing on aerosolization pressure, droplet size distribution (DSD), and spray cone angle using six commercialized nebulizers: Nebulizer 770-12 (REGER Medizintechnik), CapnoPen™(CapnoPharm), HurriChem™ (ThermaSolutions), MCR-4 TOPOL™ (Skala), QuattroJet™ (REGER Medizintechnik), and MiniJet (REGER Medizintechnik) in a reconstructed peritoneal cavity model. Results indicated notable variations in nebulizer performance. Nebulizer 770-12, CapnoPen, and HurriChem showed similar technical characteristics and reliable performance. DSD analysis showed bimodal distributions, with MiniJet and HurriChem producing small droplets (10–20 μm), while MCR-4 TOPOL generated larger droplets due to its larger orifice and distinctive design. Spray cone angle measurements demonstrated that higher flow rates slightly improved dispersion, with the MCR-4 TOPOL achieving the widest angles. Optimal flow rates for uniform spray patterns varied, with CapnoPen and HurriChem performing well at lower rates, while MCR-4 TOPOL and QuattroJet required higher flow rates (>1.0 mL/s). This comprehensive evaluation provides valuable insights to optimize nebulizer selection and aerosolized drug delivery for improved IPADD efficacy.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"188 ","pages":"Article 106615"},"PeriodicalIF":3.9,"publicationDate":"2025-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144099036","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}
Pub Date : 2025-05-14DOI: 10.1016/j.jaerosci.2025.106609
Yukai Ai , Chuji Wang , Yong-Le Pan , Gorden Videen
Subpollen particles (SPPs), fragments of pollen released during pollen rupture, contribute to the atmospheric bioaerosol load and are an important source of primary biological aerosol particles. These particles are small, can be suspended in the atmosphere for long periods, and can act as cloud condensation nuclei (CCN), influencing human health and climate. However, surface activities resulting from the interaction of SPPs with atmospheric water, which enable them to act as CCN, are still unclear. In this work, we applied optical-trapping Raman spectroscopy (OT-RS) to study the SPPs’ interaction with atmospheric water on a single-particle scale. By analyzing single-particle Raman spectra of SPPs, we identified different compositions, such as proteins, fatty acids, and lipids, corresponding to different fractions inside or outside of a pollen grain. We demonstrated that SPPs with higher concentrations of hygroscopic materials, such as amino acids and proteins, could act as CCN under high relative-humidity conditions. The surface modification caused by the interaction between atmospheric water and SPPs is also illustrated in this study. Additionally, we manipulated water droplets containing NaCl to coat the surface of SPPs, simulating interactions between sea-spray aerosol and SPPs. The results revealed distinct surface modifications when SPPs were exposed to saline solutions and pure water. This work illustrates the dynamic process for water uptake and cloud formation of SPPs under simulated atmospheric conditions and provides a single-particle method to explicitly characterize the surface activity between SPPs and atmospheric water.
{"title":"Surface activity of optically-trapped single subpollen particle interacting with atmospheric water","authors":"Yukai Ai , Chuji Wang , Yong-Le Pan , Gorden Videen","doi":"10.1016/j.jaerosci.2025.106609","DOIUrl":"10.1016/j.jaerosci.2025.106609","url":null,"abstract":"<div><div>Subpollen particles (SPPs), fragments of pollen released during pollen rupture, contribute to the atmospheric bioaerosol load and are an important source of primary biological aerosol particles. These particles are small, can be suspended in the atmosphere for long periods, and can act as cloud condensation nuclei (CCN), influencing human health and climate. However, surface activities resulting from the interaction of SPPs with atmospheric water, which enable them to act as CCN, are still unclear. In this work, we applied optical-trapping Raman spectroscopy (OT-RS) to study the SPPs’ interaction with atmospheric water on a single-particle scale. By analyzing single-particle Raman spectra of SPPs, we identified different compositions, such as proteins, fatty acids, and lipids, corresponding to different fractions inside or outside of a pollen grain. We demonstrated that SPPs with higher concentrations of hygroscopic materials, such as amino acids and proteins, could act as CCN under high relative-humidity conditions. The surface modification caused by the interaction between atmospheric water and SPPs is also illustrated in this study. Additionally, we manipulated water droplets containing NaCl to coat the surface of SPPs, simulating interactions between sea-spray aerosol and SPPs. The results revealed distinct surface modifications when SPPs were exposed to saline solutions and pure water. This work illustrates the dynamic process for water uptake and cloud formation of SPPs under simulated atmospheric conditions and provides a single-particle method to explicitly characterize the surface activity between SPPs and atmospheric water.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"188 ","pages":"Article 106609"},"PeriodicalIF":3.9,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084574","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}
Pub Date : 2025-05-14DOI: 10.1016/j.jaerosci.2025.106612
S. Cantin, M. Chouak, F. Garnier
Aviation-induced contrails impact the climate significantly by altering atmospheric properties at cruise altitudes. Understanding the formation and evolution of ice crystals in aircraft engine plumes is essential for improving contrails prediction and mitigating their climate effects. This study introduces an innovative CFD-microphysics coupling methodology to simulate ice crystal formation in the near field of a turbofan engine plume. A 2.5D axisymmetric Eulerian-Lagrangian framework was employed, integrating gas-phase chemistry (60 reactions with 22 reactive species) and a detailed microphysical model. The model accounts for soot surface activation, condensation of organic vapors and sulfur species (H2SO4 and SO3), as well as freezing and deposition processes. Results demonstrate that colder ambient temperatures (e.g., 212 K) enhance water supersaturation, accelerating ice crystal formation and growth, with soot-derived ice crystals reaching mean radii of up to 680 nm. Lower FSC increase the number of ice crystals due to the accompanying higher water supersaturation, while higher FSC promote larger ice crystals through enhanced condensation on soot particles. Organic compounds were shown to play a critical role in soot particle activation and growth, particularly under high FSC and lower temperature conditions, where they dominate the surface composition as compared to sulfur species. The soot emission index significantly influences the ice crystal number and size, with a soot emission index of 1.38 × 1013 #/kg-fuel producing the largest soot-derived ice particles due to reduced competition for available moisture. Hydrates and volatile particles exhibit peak concentrations of 1013 #/cm3 under high FSC, reflecting the role of sulfuric acid in their growth.
{"title":"Effects of fuel sulfur content and nvPM emissions on contrail formation: A CFD-microphysics study including the role of organic compounds","authors":"S. Cantin, M. Chouak, F. Garnier","doi":"10.1016/j.jaerosci.2025.106612","DOIUrl":"10.1016/j.jaerosci.2025.106612","url":null,"abstract":"<div><div>Aviation-induced contrails impact the climate significantly by altering atmospheric properties at cruise altitudes. Understanding the formation and evolution of ice crystals in aircraft engine plumes is essential for improving contrails prediction and mitigating their climate effects. This study introduces an innovative CFD-microphysics coupling methodology to simulate ice crystal formation in the near field of a turbofan engine plume. A 2.5D axisymmetric Eulerian-Lagrangian framework was employed, integrating gas-phase chemistry (60 reactions with 22 reactive species) and a detailed microphysical model. The model accounts for soot surface activation, condensation of organic vapors and sulfur species (H<sub>2</sub>SO<sub>4</sub> and SO<sub>3</sub>), as well as freezing and deposition processes. Results demonstrate that colder ambient temperatures (e.g., 212 K) enhance water supersaturation, accelerating ice crystal formation and growth, with soot-derived ice crystals reaching mean radii of up to 680 nm. Lower FSC increase the number of ice crystals due to the accompanying higher water supersaturation, while higher FSC promote larger ice crystals through enhanced condensation on soot particles. Organic compounds were shown to play a critical role in soot particle activation and growth, particularly under high FSC and lower temperature conditions, where they dominate the surface composition as compared to sulfur species. The soot emission index significantly influences the ice crystal number and size, with a soot emission index of 1.38 × 10<sup>13</sup> #/kg-fuel producing the largest soot-derived ice particles due to reduced competition for available moisture. Hydrates and volatile particles exhibit peak concentrations of 10<sup>13</sup> #/cm<sup>3</sup> under high FSC, reflecting the role of sulfuric acid in their growth.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"188 ","pages":"Article 106612"},"PeriodicalIF":3.9,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144099041","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}
Pub Date : 2025-05-14DOI: 10.1016/j.jaerosci.2025.106610
K. Chekrouba, A. Benabed, A. Mehel
Road vehicles are a significant source of dust resuspension, contributing substantially to air pollution. This study presents a novel computational fluid dynamics (CFD) approach to quantify emission factors of resuspended particulate matter (PM) caused by the turbulent airflow around a rotating vehicle wheel. A coupled Eulerian-Lagrangian method incorporating a particle detachment model was employed to simulate the complex interactions between the particles and the airflow surrounding a moving/rotating wheel. Unsteady Reynolds Averaged Navier-Stokes (URANS) simulations were performed using the Shear Stress Transport (SST) and Low-Reynolds-Corrected Turbulence Model (LCTM) for the closure. Comparison to experimental data showed that the LCTM model better captured both global and local flow features.
The particle detachment model was applied to four representative PM10 particle sizes (D1=0.85 μm, D1=2.5 μm, D3=6 μm, and D4=10 μm), revealing size-dependent resuspension behavior. Finer particles () detached from regions near the wheel, while larger particles () were detached over broader areas around the wheel. The emission factor of PM10 particles was calculated as the mass of emitted particles per second. The results showed a good agreement with experimental estimates under similar conditions, thereby confirming the robustness of the present CFD-based methodology. Resuspended particles were subject of dispersion with patterns that showed also distinct behavior across particle sizes: particles closely followed airflow streamlines, particles exhibit enhanced diffusion within and around vortices, and particles tended to accumulate at vortex peripheries, reaching higher vertical positions in the flow field. This original approach will allow to investigate the contribution of resuspended particles to the particulate pollution under several conditions.
{"title":"Numerical study of particle resuspension in the wake of a rotating wheel","authors":"K. Chekrouba, A. Benabed, A. Mehel","doi":"10.1016/j.jaerosci.2025.106610","DOIUrl":"10.1016/j.jaerosci.2025.106610","url":null,"abstract":"<div><div>Road vehicles are a significant source of dust resuspension, contributing substantially to air pollution. This study presents a novel computational fluid dynamics (CFD) approach to quantify emission factors of resuspended particulate matter (PM) caused by the turbulent airflow around a rotating vehicle wheel. A coupled Eulerian-Lagrangian method incorporating a particle detachment model was employed to simulate the complex interactions between the particles and the airflow surrounding a moving/rotating wheel. Unsteady Reynolds Averaged Navier-Stokes (URANS) simulations were performed using the Shear Stress Transport (SST) and Low-Reynolds-Corrected Turbulence Model (LCTM) for the closure. Comparison to experimental data showed that the LCTM model better captured both global and local flow features.</div><div>The particle detachment model was applied to four representative PM<sub>10</sub> particle sizes (<em>D</em><sub><em>1</em></sub><em>=</em>0.85 μm, <em>D</em><sub><em>1</em></sub><em>=</em>2.5 μm, <em>D</em><sub><em>3</em></sub><em>=</em>6 μm, and <em>D</em><sub><em>4</em></sub><em>=</em>10 μm), revealing size-dependent resuspension behavior. Finer particles (<span><math><mrow><msub><mi>D</mi><mn>1</mn></msub><mo>,</mo><msub><mrow><mspace></mspace><mi>D</mi></mrow><mn>2</mn></msub></mrow></math></span>) detached from regions near the wheel, while larger particles (<span><math><mrow><msub><mi>D</mi><mn>3</mn></msub><mo>,</mo><msub><mi>D</mi><mn>4</mn></msub></mrow></math></span>) were detached over broader areas around the wheel. The emission factor of PM<sub>10</sub> particles was calculated as the mass of emitted particles per second. The results showed a good agreement with experimental estimates under similar conditions, thereby confirming the robustness of the present CFD-based methodology. Resuspended particles were subject of dispersion with patterns that showed also distinct behavior across particle sizes: <span><math><mrow><msub><mi>D</mi><mn>1</mn></msub></mrow></math></span> particles closely followed airflow streamlines, <span><math><mrow><msub><mi>D</mi><mn>2</mn></msub></mrow></math></span> particles exhibit enhanced diffusion within and around vortices, and <span><math><mrow><msub><mi>D</mi><mn>4</mn></msub></mrow></math></span> particles tended to accumulate at vortex peripheries, reaching higher vertical positions in the flow field. This original approach will allow to investigate the contribution of resuspended particles to the particulate pollution under several conditions.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"188 ","pages":"Article 106610"},"PeriodicalIF":3.9,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144137828","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}
Pub Date : 2025-05-14DOI: 10.1016/j.jaerosci.2025.106614
Tejashri S. Patil, Alex R. Voris, Seamus P. Kane, William F. Northrop
When synthesized from renewable energy, anhydrous ammonia (NH3) is a zero-carbon fuel; therefore, by definition, its combustion produces no carbonaceous soot particles. However, this study reveals that ammonium nitrate ultrafine particles are emitted in significant quantities from ammonia combustion in engines. In the experimental work, a retrofitted single-cylinder Cummins ISB6.7 engine was operated at 1200 RPM and 1800 RPM at 50 % load. Gaseous emissions were measured using a Fourier transform infrared (FTIR) emissions bench, while particle size distribution was assessed using a scanning mobility particle sizer. Size-separated particles were collected using a MOUDI impactor and characterized to identify the chemical composition using attenuated total reflectance-FTIR, Raman spectroscopy, and X-ray photoelectron spectroscopy techniques. Additionally, particle morphology was studied using transmission electron microscopy, while energy-dispersive X-ray spectroscopy mapping was performed to confirm elemental composition. The particle size distribution indicated a monomodal lognormal distribution with diameters ranging from 6.15 nm to 224.7 nm. The geometric mean diameter was 30.6 nm at 1200 RPM and 28.9 nm at 1800 RPM. The corresponding total concentrations were 2.5 × 106 and 3.4 × 106 particles/cm3, respectively. Characterization results indicate that the measured particle emissions primarily consist of ammonium nitrate, potentially synthesized in combustion through the reaction of unburned ammonia with nitrogen dioxide. Elemental maps show nitrogen and oxygen, indicating the presence of nitrates, along with sulfur, magnesium, potassium, and calcium, likely originating from lubricant oil additives. One formation mechanism is believed to involve heterogeneous nucleation, during which particles are adsorbed onto existing ash particles containing inorganic metals originating from the entrainment and combustion of lubricant oil.
{"title":"Ammonium nitrate nanoparticle emissions from ammonia-fueled internal combustion engines","authors":"Tejashri S. Patil, Alex R. Voris, Seamus P. Kane, William F. Northrop","doi":"10.1016/j.jaerosci.2025.106614","DOIUrl":"10.1016/j.jaerosci.2025.106614","url":null,"abstract":"<div><div>When synthesized from renewable energy, anhydrous ammonia (NH<sub>3</sub>) is a zero-carbon fuel; therefore, by definition, its combustion produces no carbonaceous soot particles. However, this study reveals that ammonium nitrate ultrafine particles are emitted in significant quantities from ammonia combustion in engines. In the experimental work, a retrofitted single-cylinder Cummins ISB6.7 engine was operated at 1200 RPM and 1800 RPM at 50 % load. Gaseous emissions were measured using a Fourier transform infrared (FTIR) emissions bench, while particle size distribution was assessed using a scanning mobility particle sizer. Size-separated particles were collected using a MOUDI impactor and characterized to identify the chemical composition using attenuated total reflectance-FTIR, Raman spectroscopy, and X-ray photoelectron spectroscopy techniques. Additionally, particle morphology was studied using transmission electron microscopy, while energy-dispersive X-ray spectroscopy mapping was performed to confirm elemental composition. The particle size distribution indicated a monomodal lognormal distribution with diameters ranging from 6.15 nm to 224.7 nm. The geometric mean diameter was 30.6 nm at 1200 RPM and 28.9 nm at 1800 RPM. The corresponding total concentrations were 2.5 × 10<sup>6</sup> and 3.4 × 10<sup>6</sup> particles/cm<sup>3</sup>, respectively. Characterization results indicate that the measured particle emissions primarily consist of ammonium nitrate, potentially synthesized in combustion through the reaction of unburned ammonia with nitrogen dioxide. Elemental maps show nitrogen and oxygen, indicating the presence of nitrates, along with sulfur, magnesium, potassium, and calcium, likely originating from lubricant oil additives. One formation mechanism is believed to involve heterogeneous nucleation, during which particles are adsorbed onto existing ash particles containing inorganic metals originating from the entrainment and combustion of lubricant oil.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"188 ","pages":"Article 106614"},"PeriodicalIF":3.9,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144116241","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}
Pub Date : 2025-05-13DOI: 10.1016/j.jaerosci.2025.106607
Hugo Öhrneman , Sarah McCarrick , Anda Gliga , Per Wollmer , Karin Broberg , Jakob Löndahl
Aerosolised Polystyrene Latex (PSL) nanoparticles are, due to their well-defined size, spherical shape, and inert surface, useful in many experimental applications, including studies of particle deposition in the human lung. Aerosolising nanoparticles entails added challenges, and nanoparticles can potentially be more hazardous than otherwise equivalent microparticles. The objective of this work was to evaluate methods for aerosolising PSL nanoparticles and assess their toxicity.
We investigated a Collison-type generator, a TSI Electrospray, and the recent Kanomax NanoAerosol Generator (NAG). We also examined the cyto- and genotoxicity of nano-PSL to human bronchial epithelial cells (BEAS-2B) in serum-free conditions and to monocyte-derived macrophages (THP-1) in both serum-free and serum-enriched conditions.
When comparing the generators, we found that the NAG produced an aerosol with greater separation between the PSL and residual particles than the Collison and was the most stable generator tested. The electrospray generated an aerosol without any overlap between the residual and the PSL modes but was also the most unpredictable, making it less suited for areas where ease of use and high repeatability are needed. We found that the Collison is generally unsuitable to generate nano-sized aerosol. The lowest observed effect level for cytotoxicity in BEAS-2B was 25, 50 and 50 μg/mL for 30, 50 and 100 nm PSL, respectively. For serum-free THP-1 macrophages, it was 50 μg/mL for 30 nm PSL and 150 μg/mL for 50 and 100 nm PSL. THP-1 macrophages displayed no cytotoxicity in serum-enriched culture. None of the tested particles were genotoxic in the alkaline comet assay.
Overall, the NAG exceeded the Collison and electrospray in stability but produced a more polydisperse aerosol than the electrospray. PSL particles induced dose- and size-dependent cytotoxicity in BEAS-2B and in THP-1 cells with the smallest particles (30 nm) being the most toxic. However, the concentration is several orders of magnitude higher than typical concentrations for experimental applications.
{"title":"Evaluation of methods for aerosolising polystyrene latex nanoparticles and assessment of their toxicity","authors":"Hugo Öhrneman , Sarah McCarrick , Anda Gliga , Per Wollmer , Karin Broberg , Jakob Löndahl","doi":"10.1016/j.jaerosci.2025.106607","DOIUrl":"10.1016/j.jaerosci.2025.106607","url":null,"abstract":"<div><div>Aerosolised Polystyrene Latex (PSL) nanoparticles are, due to their well-defined size, spherical shape, and inert surface, useful in many experimental applications, including studies of particle deposition in the human lung. Aerosolising nanoparticles entails added challenges, and nanoparticles can potentially be more hazardous than otherwise equivalent microparticles. The objective of this work was to evaluate methods for aerosolising PSL nanoparticles and assess their toxicity.</div><div>We investigated a Collison-type generator, a TSI Electrospray, and the recent Kanomax NanoAerosol Generator (NAG). We also examined the cyto- and genotoxicity of nano-PSL to human bronchial epithelial cells (BEAS-2B) in serum-free conditions and to monocyte-derived macrophages (THP-1) in both serum-free and serum-enriched conditions.</div><div>When comparing the generators, we found that the NAG produced an aerosol with greater separation between the PSL and residual particles than the Collison and was the most stable generator tested. The electrospray generated an aerosol without any overlap between the residual and the PSL modes but was also the most unpredictable, making it less suited for areas where ease of use and high repeatability are needed. We found that the Collison is generally unsuitable to generate nano-sized aerosol. The lowest observed effect level for cytotoxicity in BEAS-2B was 25, 50 and 50 μg/mL for 30, 50 and 100 nm PSL, respectively. For serum-free THP-1 macrophages, it was 50 μg/mL for 30 nm PSL and 150 μg/mL for 50 and 100 nm PSL. THP-1 macrophages displayed no cytotoxicity in serum-enriched culture. None of the tested particles were genotoxic in the alkaline comet assay.</div><div>Overall, the NAG exceeded the Collison and electrospray in stability but produced a more polydisperse aerosol than the electrospray. PSL particles induced dose- and size-dependent cytotoxicity in BEAS-2B and in THP-1 cells with the smallest particles (30 nm) being the most toxic. However, the concentration is several orders of magnitude higher than typical concentrations for experimental applications.</div></div>","PeriodicalId":14880,"journal":{"name":"Journal of Aerosol Science","volume":"188 ","pages":"Article 106607"},"PeriodicalIF":3.9,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089392","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}
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