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We study alchemical atomic energy partitioning as a method to estimate atomization energies from atomic contributions, which are defined in physically rigorous and general ways through the use of the uniform electron gas as a joint reference. We analyze quantitatively the relation between atomic energies and their local environment using a dataset of 1325 organic molecules. The atomic energies are transferable across various molecules, enabling the prediction of atomization energies with a mean absolute error of 23 kcal/mol, comparable to simple statistical estimates but potentially more robust given their grounding in the physics-based decomposition scheme. A comparative analysis with other decomposition methods highlights its sensitivity to electrostatic variations, underlining its potential as a representation of the environment as well as in studying processes like diffusion in solids characterized by significant electrostatic shifts. [ABSTRACT FROM AUTHOR]

Four-center two-electron Coulomb integrals routinely appear in electronic structure algorithms. The resolution-of-the-identity (RI) is a popular technique to reduce the computational cost for the numerical evaluation of these integrals in localized basis-sets codes. Recently, Duchemin and Blase proposed a separable RI scheme [J. Chem. Phys. 150, 174120 (2019)], which preserves the accuracy of the standard global RI method with the Coulomb metric and permits the formulation of cubic-scaling random phase approximation (RPA) and GW approaches. Here, we present the implementation of a separable RI scheme within an all-electron numeric atom-centered orbital framework. We present comprehensive benchmark results using the Thiel and the GW100 test set. Our benchmarks include atomization energies from Hartree–Fock, second-order Møller–Plesset (MP2), coupled-cluster singles and doubles, RPA, and renormalized second-order perturbation theory, as well as quasiparticle energies from GW. We found that the separable RI approach reproduces RI-free HF calculations within 9 meV and MP2 calculations within 1 meV. We have confirmed that the separable RI error is independent of the system size by including disordered carbon clusters up to 116 atoms in our benchmarks. [ABSTRACT FROM AUTHOR]

Using direct numerical simulation, the primary atomization of shear-thinning liquid jets into stagnant gas is investigated. Starting from a Newtonian configuration with material properties approximately corresponding to a Diesel injection, two hypothetical shear-thinning cases using the power-law and the Carreau-Yasuda models for the calculation of the apparent viscosity are investigated. A recently developed tracking algorithm is used to identify droplets newly formed from the core jet, as well as all other droplets in the computational domain, and a number of relevant droplet characteristics, such as droplet volume, surface area and center of mass, is recorded at each time step. This allows a comparison of droplet characteristics on the basis of probability density functions. It is observed that the shear-thinning behavior of the liquid phase, which is particularly relevant at the interface, influences the droplet volumes and shapes. While the mean viscosity differs significantly for the different cases, the first- and second-order velocity and volume fraction statistics remain nearly unchanged. [ABSTRACT FROM AUTHOR]

Background: The lack of visual dynamic spray characterization has made the understanding of the physical processes governing atomization and drug particle formation difficult. This study aimed to investigate the changes in the spray plume morphology and aerodynamic particle size of solution-based pressurized metered-dose inhalers (pMDIs) under different conditions to achieve better drug deposition. Methods: Solution-based pMDIs were studied, and the effects of various factors, such as propellant concentration, orifice diameters, and atomization chamber volume, on drug deposition were examined by analyzing the characteristics of spray plume and aerodynamic particle size. Results: Reducing the actuator orifice and spray area led to a concentrated spray plume and increased duration and speed. Moreover, the aerodynamic particle sizes D50 and D90 decreased, whereas D10 remained relatively unchanged. Decreasing the atomization chamber volume of the actuator led to reduced spray area and an increased duration but a decreased plume velocity. D90 exhibited a decreasing trend, whereas D10 and D50 remained relatively unchanged. Reducing the propellant concentration in the prescription, the spray area and the plume velocity first decreased and then increased. The duration initially increased and then decreased. The values of D50 and D90 showed an initial decreasing followed by an increasing trend, whereas D10 remained relatively unchanged. Conclusions: During the development process, attention should be paid to the changes in the spray area, spray angle, duration, and speed of the spray plume. This study recommended analyzing the characteristics of the spray plume and combining the data of two or more aerodynamic particle size detection methods to verify the deposition in vitro to achieve rapid screening and obtain high lung deposition in vivo. [ABSTRACT FROM AUTHOR]

Adjuvants are included in many pesticide spray mixtures to enhance the performance of the applied chemical. Many adjuvants which modify the emulsion or extensional viscosity of the tank‐mixture have been found to offer benefits in drift management, primarily by eliminating or reducing the 'Fine' droplets included in the spray with diameters <100–200 μm that can move off‐target in unfavorable conditions during ground, airblast and aerial pesticide applications. Among wind tunnel and field studies conducted around the world, there is consensus that while some adjuvants are effective for drift management, the performance varies on a case‐by‐case basis, requiring verification for each adjuvant which could be achieved through a programme such as certification based on showing a reduction in Fine droplets and/or a reduction in airborne drift. These can be measured in wind tunnel studies according to international standards. This article provides a review of the current science in this subject area, from the approaches to data collection to a review of existing data and regulatory application for encouraging and rewarding the use of appropriate adjuvants that have been demonstrated to reduce airborne spray drift potential and therefore the size of no‐spray buffer zones appropriate to protect nontarget sensitive areas from drift exposure. Some adjuvants can offer the same reduction in drift as offered by hooded sprayer retrofits. A drift reduction programme based on adjuvant use could include testing candidate adjuvants for their effect on droplet size and reduction in Fine droplets when sprayed through reference nozzles and compared against sprays without the adjuvant. Testing could also be based alternatively on measurements of drift potential on collectors such as monofilament line in wind tunnel or field studies. Once shown to be effective in reducing 'Fines' or spray drift, adjuvants could be certified and then referenced on pesticide labels and/or regulatory or best management practice schemes to encourage their use and offer reductions in use restrictions or no‐spray buffer zone sizes based on drift management. Studies have shown that some adjuvants can reduce pesticide leaching into soils and contamination of groundwater, as well as runoff of active ingredients from plants into the environment. Performance depends on the adjuvant type, the pesticide with which it is used, the soil or plant type, the timing and mass of water input from rainfall and climatic factors. © 2024 The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry. [ABSTRACT FROM AUTHOR]

Particulate matter from coal and stone operations is a primary air pollution source. The traditional nozzle requires high-pressure conditions, and the atomization droplets are large and uneven. This paper aims to study a linear Laval nozzle and investigate the impact of water pressure on atomization performance. The volume of fluid (VOF) model and discrete phase model (DPM) of Fluent are used to simulate the internal and external fields of the nozzle and analyze the velocity, droplet size, and atomization angle. The results show that the optimized water pressure parameters are 0.1 MPa with an air pressure of 0.5 MPa. Droplets in the middle are smaller, while those on the sides are larger. Compared to traditional nozzles, the water pressure is reduced by over 90%, and the Sauter mean diameter (SMD) decreases by over 50%. Moreover, the theoretical spray angle increases by approximately 150%. [ABSTRACT FROM AUTHOR]

Copyright of Light Industry Machinery is the property of Light Industry Machinery Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

The purpose of this paper was to study in vitro atomization properties of the self-developed sodium sivelestat for inhalation, evaluate the feasibility of this preparation as an aerosol inhalation, and provide the guidance for the following animal administration experiment. Firstly, in order to ensure accurate, uniform and stable doses of the self-developed product after administration, its atomization performance was analyzed through the testing of fine particle mass and the total emitted dose, and the results of its atomization parameters meet the requirement of inhalation. Next, Atomization characteristics of two commonly used nebulizers, air compressed nebulizer and mesh nebulizer, were studied and compared. The results showed that mesh atomizers have a smaller and more uniform particle size distribution. And then, the experiment of acute lung injury induced by aerosol inhalation of lipopolysaccharide in mice was used to test the therapeutic effect of our self-developed formulation, and compared with the positive control (sodium sivelestat for injection). The results showed that inhalation had a lower concentration and was equally effective than injection of sodium sivelestat. All the results support that the self-developed sodium sivelestat can be used as an aerosol inhaled drug. [ABSTRACT FROM AUTHOR]

Liquid steel atomization using close‐coupled nozzles is highly dependent on the relationship between momentum flux ratio, gas–liquid ratio, aspiration pressure, and operating pressure of inert gases. A strong correlation between these parameters and the final powder must be assumed. Understanding these parameters, their influence on the process, and their interactions with each other is indispensable for efficient powder production. In particular, the industrial application of close‐coupled atomization nozzles, which develop a thin pre‐film on the nozzle tip, is not yet fully understood. A model experiment is presented to investigate interactions between the flow conditions of the gaseous and liquid phases, focusing on recirculation phenomena inside the atomization zone. The experiments show the influence of liquid and gas flow conditions on the spray geometry and the liquid core length, as well as the strong dependence of the liquid mass flux on the gas flow. The aspiration pressure below the liquid nozzle is sensitive to gas pressure and has a major influence on the development of the liquid core and the pre‐film, as it increases the liquid mass flux. For practical application, the results confirm an optimal operating point of interacting system parameters, which leads to high‐quality atomization with minimal use of resources. [ABSTRACT FROM AUTHOR]

In the present work, the calibration dependencies for the M062X (i=1),B3LYP (i=2), wB97XD (i=3), M08HX (i=4), MN15 (i=5), G3B3 (i=6) and CBS‐QB3 (i=7) and several other modeling approaches are determined using the calculated values of ΔraHo of atomization and literature based values of ΔraHo(X,TAB) of 14 reference peroxides. These calibration dependencies are used for the determination of ΔraHo(X,CORRP)i and ΔfHo(X,CORRP)i of other peroxides. The coordination of values of ΔfHo(X,CORRP)i (i=1–7) by the intersection of their 3σPi intervals is used for the determination of the most consistent values of ΔfHo(X,MEANP). These values of ΔfHo(X,MEANP) are used for the determination of BDE of peroxides. It's demonstrated that the calculated and literature values of BDE are in agreement. Among the considered modeling approaches, the lowest uncertainties (σPi) are determined for the G3B3 (3.1 kJ/mol), CBS‐QB3 (4.1 kJ/mol), and M062X/6‐311++G(d,p) (6.1 kJ/mol) approaches. [ABSTRACT FROM AUTHOR]

The phenomenon of the burnt degree of the coil（cotton wick)has a serious impact on consumer health and experience. Sweeteners are an important component of e-liquids, but Neotame is the only option for sweetener in e-liquids listed in the Chinese national standard. There still lacks systematic and comparative report on sweeteners, and it’s hard to directly evaluate the effect of sweetener on the burnt degree of the coil(cotton wick). The sensory evaluation on the sweetness characteristics of glucose-stevioside(GSG), rubusoside, sucralose, Neotame, Fulltame（FA)and acesulfame（AK)was employed. The thermal stability and volatility of the sweeteners or their solution(propylene glycol-glycerol mixture as the solvent) were analyzed with thermogravimetry and differential scanning calorimetry analysis, respectively. The coil-burnt experiment was conducted with the coils absorbed the sweetener solution in a Muffle furnace, and the effect of sweeteners on the burnt degree of coil was investigated with visual inspection and whiteness measurement. The assayed sweeteners can be entirely aerosolized by PG-VG in the absence of coil. The ratio of propylene glycol to glycerol, baking temperature, baking time and sweetener type are the influence factors for the coil whiteness after burning. By baking the coil soaked sweetener solution（4% in e-liquids)at 260 ℃ for 30 min, the mass retention rate of coil follows：sucralose＞AK＞GSG＞Neotame＞FA＞blank, while the whiteness of the baked coil, which indicates less enhancement on the degree of burning followed：GSG-FA＞blank＞ Neotame＞sucralose＞AK. [ABSTRACT FROM AUTHOR]

In this study, a series dual-chamber self-excited oscillation nozzle (SDSON) for atomization was developed for photodecomposition of oily wastewater. In order to address the computational complexity associated with optimizing this nozzle, a surrogate model that integrates computational fluid dynamics simulation is proposed. By employing a multi-objective optimization algorithm that combines Genetic Algorithm and Non-dominated Sorting Genetic Algorithm II, significant improvements in atomization performance have been achieved. The influencing factors of atomization and their interactions on the nozzle's atomization performance have been analyzed. The entropy weight method was employed in conjunction with gray theory to rank the optimal solutions based on weighted correlation evaluation, resulting in the determination of the most favorable design solutions. The optimized design exhibited significant enhancements in turbulence kinetic energy and gas volume fraction at the nozzle outlet. Atomization experiments confirmed that the optimized SDSON generated smaller and more uniformly sized droplets under identical inlet pressure conditions, thereby greatly improving atomization performance. [ABSTRACT FROM AUTHOR]

Ultrasonic atomization is a critical process for producing micrometer-diameter droplets, widely utilized in aerosol drug delivery, spectrometry, and printing. The geometry of the vessel containing the fluid being atomized and the oscillations of its sidewalls play a crucial role in controlling the wave patterns and hence the droplet ejection process, especially at actuation frequencies exceeding 1 MHz. However, the mechanisms behind droplet ejection under high-frequency ultrasonic actuation remain poorly understood. We employ oscillating high-aspect-ratio Silicon microchannels to create ideal conditions where capillary forces, microchannel geometry, and oscillatory motion work together to precisely confine a liquid film and generate droplets with controlled diameters. We show that the three-dimensional vibrations of the microchannels, particularly the interplay between actuation frequency, amplitude, and channel geometry, can be used to effectively tune the ligament development and droplet breakup. This understanding allows us to establish conditions to reduce actuation power and hence minimize heating, control shear stresses and tune the droplet size on-demand without compromising uniformity and throughput. [ABSTRACT FROM AUTHOR]

This study delves into the dynamics of non-simultaneous droplet impacts on solid substrates, focusing on interactions between identical impacting droplets. Comparisons between non-simultaneous and simultaneous impacts are presented to understand the phenomena comprehensively. An in-house-built microcontroller-based droplet generator releases two equal-sized droplets on demand, allowing for simultaneous or non-simultaneous impacts. The interaction between impacting droplets generates an uprising sheet, whose characteristics vary with time lag between impacts, impact Weber number, and inter-droplet spacing. The evolution of central sheet characteristics, lamellae spreading dynamics, splashing mechanism, and secondary atomization is evaluated. Findings reveal that central sheet morphology varies with the time lag between impacts, transitioning from a two-dimensional (2D) "semilunar" sheet (vertical or inclined) with a linear base to a three-dimensional (3D) sheet with a curved base, increasing the probability of secondary atomization. The temporal evolution of the central sheet position, height, and inclination angle is governed by the momentum of spreading lamellae. A novel scaling law for maximum sheet extension and a theoretical expression for surface liquid spread are proposed, consistent with the measurements. The characteristics of secondary droplets generated during non-simultaneous impacts are similar to those from simultaneous impacts, with the size of the secondary droplets being one order of magnitude larger than those expected from isolated single-droplet impacts. [ABSTRACT FROM AUTHOR]

Impinging-jet injectors, liquid–liquid coaxial swirl injectors, and liquid–liquid pintle injectors are representative liquid–liquid injectors in liquid rocket engines (LRE). For these liquid–liquid injectors, the atomization processes all involve the liquid impingement, including jet–jet, sheet–sheet, and jets/sheet–sheet impingement, respectively. After impingement, a liquid sheet forms and fragments. Based on these similarities, reviewing published literature on the spray characteristics of these three liquid–liquid injectors in LRE is necessary and will facilitate the investigation of spray characteristics of liquid–liquid pintle injectors to meet the progress of variable-thrust LRE. This review covers the following aspects of these injectors: basic spray morphology, liquid sheet characteristics and disintegration mechanisms, and atomization characteristics. For impinging-jet injectors, rim instability and impact wave play crucial roles in spray morphology and disintegration. Jet Weber number is of great importance for liquid sheet breakup length and mean droplet diameter. In the case of liquid–liquid coaxial swirl injectors, the overall spray morphology is similar to that of pressure swirl injectors, but it may feature two separate liquid sheets. The recess length strongly influences spray morphology, spray angle, breakup length, and Sauter mean diameter. Liquid–liquid pintle injectors can be simplified to injection element, in which the spray morphology resembles a cloak-like shape. In a complete pintle injector, the spray forms a conical liquid sheet. Momentum ratio proves to be the most significant parameter for predicting spray angle. Although the review indicates substantial progress has been made in understanding spray characteristics of liquid–liquid injectors, there remain several shortcomings that require further research, particularly for pintle injectors, which can be learned from the other two injectors. [ABSTRACT FROM AUTHOR]

The pandemic and all of its restrictions dominated public attention and social practices for almost three years. There was declared a state of exception in many national contexts during the pandemic. A revolution took place in the governing of bodies and the obstruction of sociality or the basic togetherness of humans. In a direct, physical way, the pandemic regulations were radically individualizing to a degree that had not been seen in either normal societies or normal crises and emergencies. This pandemic condition of being exposed represented a kind of extreme object existence. [ABSTRACT FROM AUTHOR]

Highly efficient surface acoustic wave (SAW) transducers offer significant advantages for microfluidic atomization. Aiming at highly efficient atomization, we innovatively accomplish dual-surface simultaneous atomization by strategically positioning the liquid supply outside the IDT aperture edge. Initially, we optimize Lamb wave transducers and specifically investigate their performance based on the ratio of substrate thickness to acoustic wavelength. When this ratio h / λ is approximately 1.25, the electromechanical coupling coefficient of A0-mode Lamb waves can reach around 5.5% for 128° Y-X LiNbO3. We then study the mechanism of droplet atomization with the liquid supply positioned outside the IDT aperture edge. Experimental results demonstrate that optimized Lamb wave transducers exhibit clear dual-surface simultaneous atomization. These transducers provide equivalent amplitude acoustic wave vibrations on both surfaces, causing the liquid thin film to accumulate at the edges of the dual-surface and form a continuous mist. [ABSTRACT FROM AUTHOR]

The processing of pure copper (Cu) has been a challenge for laser-based additive manufacturing for many years since copper powders have a high reflectivity of up to 83% of electromagnetic radiation at a wavelength of 1070 nm. In this study, Cu particles were coated with sub-micrometer tungsten (W) particles to increase the laser beam absorptivity. The coated powders were processed by powder bed fusion-laser beam for metals (PBF-LB/M) with a conventional laser system of <300 watts laser power and a wavelength of 1070 nm. Two different powder manufacturing routes were developed. The first manufacturing route was gas atomization combined with a milling process by a planetary mill. The second manufacturing method was gas atomization with particle co-injection, where a separate W particle jet was sprayed into the atomized Cu jet. As part of the investigations, an extensive characterization of powder and additively manufactured test specimens was carried out. The specimens of Cu/W powders manufactured by the milling process have shown superior results. The laser absorptivity of the Cu/W powder was increased from 22.5% (pure Cu powder) to up to 71.6% for powders with 3 vol% W. In addition, a relative density of test specimens up to 98.2% (optically) and 95.6% (Archimedes) was reached. Furthermore, thermal conductivity was measured by laser flash analysis (LFA) and thermo-optical measurement (TOM). By using eddy current measurement, the electrical conductivity was analyzed. In comparison to the Cu reference, a thermal conductivity of 88.9% and an electrical conductivity of 85.8% were determined. Moreover, the Vickers hardness was measured. The effect of porosity on conductivity properties and hardness was investigated and showed a linear correlation. Finally, a demonstrator was built in which a wall thickness of down to 200 µm was achieved. This demonstrates that the Cu/W composite can be used for heat exchangers, heat sinks, and coils. [ABSTRACT FROM AUTHOR]

Acidification is an important factor in the aging of paper literature. Since most of the paper is sized and the surface tension of water is high, it is usually difficult for aqueous phase deacidification agent to penetrate the paper resulting in uneven deacidification. The addition of surfactant can effectively reduce the liquid surface tension and enhance the effect of deacidification with wetting properties improvement. In this paper, polysorbate-80 and polyether-modified trisiloxane surfactants were added to sodium propionate aqueous deacidification agent separately, researching the effect of wettability on the paper literature deacidification by ultrasonic atomization. The results show that SP-TRSE is effective, the maximum enhancement of deacidification agent absorption after adding wetting additives is 238.20 %, the minimum standard deviation of water content and alkali reserve after treatment is 3.87 and 0.005 respectively, the maximum increase in the internal mass fraction of sodium is 0.29 %. [ABSTRACT FROM AUTHOR]

Copyright of Automobile Technology & Material is the property of Automobile Technology & Material Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Dental enamel is a mineralized extracellular matrix, and enamel defect is a common oral disease. However, the self‐repair capacity of enamel is limited due to the absence of cellular components and organic matter. Efficacy of biomimetic enamel mineralization using calcium phosphate ion clusters (CPICs), is an effective method to compensate for the limited self‐healing ability of fully developed enamel. Preparing and stabilizing CPICs presents a significant challenge, as the addition of certain stabilizers can diminish the mechanical properties or biosafety of mineralized enamel. To efficiently and safely repair enamel damage, this study quickly prepared CPICs without stabilizers using the atomization method. The formed CPICs were evenly distributed on the enamel surface, prompting directional growth and transformation of hydroxyapatite (HA) crystals. The study revealed that the mended enamel displayed comparable morphology, chemical composition, hardness, and mechanical properties to those of the original enamel. The approach of repairing dental enamel by utilizing ultrasonic nebulization of CPICs is highly efficient and safe, therefore indicating great promise. [ABSTRACT FROM AUTHOR]

Recent studies have increasingly focused on integrating detonation processes into engine technologies, advancing beyond the fundamental research phase of detonation research. The present study investigates the detonability and combustion characteristics of liquid fuels, specifically ethanol, with an emphasis on the effects of atomization properties facilitated by different atomizer designs to implement pulse detonation combustion engines. Oxygen was used as the oxidizer. We employed internal injectors (I45, I90, IB4) and atomizer venturis (VA, VB, VR) to examine how variations in liquid fuel atomization and atomizer configurations influence detonation. The occurrence of detonation was assessed using predicted Sauter mean diameters (SMDs) and exit velocities for different atomizer setups. Additionally, we evaluated the effects of nitrogen dilution at concentrations of 0%, 25%, and 50% on velocity variations and changes in detonation characteristics. The findings suggest that while higher exit velocities decrease SMD, facilitating detonation, excessively high velocities hinder detonation initiation. Conversely, lower exit velocities emphasize the role of SMD in initiating detonation. However, the introduction of nitrogen, which reduces the SMD, was found to decrease reactivity and impede detonation. [ABSTRACT FROM AUTHOR]

The geometry of an orifice is a major determinant of nozzle internal flow and cavitation, which directly govern spray atomization and consequently affect combustion and fuel economy in internal combustion engines. In this study, simulation models of the nozzle at different angles between the normal and the injection hole inlet cross-section and the injection hole axis, as well as with different injection hole cone angles (a positive angle between the injection hole axis and its walls implies a divergent hole), were investigated by means of a previously developed numerical model that was validated based on experimental data from X-ray image technology. The results indicate that as the angle between the normal and the injection hole inlet cross-section and the injection hole axis increases, the cavitation asymmetry within the injection hole intensifies, accompanied by a decrease in the gas volume fraction. On one side of the injection hole, the hydraulic flip width expands, while, on the other side of the injection hole, the flow state gradually changes from hydraulic flip to super-cavitation flow, transitional cavitation and fully reattached flow. The divergent orifice layout intensifies cavitation, and the higher the positive injection hole cone angle, the bigger the hydraulic flip width. The convergent layout of the injection hole suppresses cavitation, and cavitation inside the nozzle disappears completely when the injection hole cone angle is less than −10°. [ABSTRACT FROM AUTHOR]

To increase the ubiquity and merging of Olfactory Interfaces (OIs) into daily scenarios seamlessly and aesthetically, we propose OlfacKit, a fully integrated pipeline, which consists of (1) an interactive design tool that enables novice users to quickly model the physical forms of OIs and automatically generate fabrication-ready designs; (2) a construction workflow with a series of assembly kits and a video tutorial; (3) a WebUI for rapidly testing and prototyping smell control through Wi-Fi communication. We tested the atomization performance with different voltages and aroma liquids and further guided the implementation of the WebUI. Six applications have been explored, showing the flexibility and scalability of our toolkit. We conducted a workshop to evaluate the feasibility and usability of OlfacKit, involving 15 participants who proposed 108 creative ideas and implemented 13 working prototypes. We reported the detailed findings and discussed the insights and implications for future design. [ABSTRACT FROM AUTHOR]

For gas turbine combustors, injecting liquid fuel in crossflow can achieve superior mixing characteristics to improve performance and reduce emissions. Robust numerical design tools are needed to accelerate the development of low-emissions technologies. Atomization modeling is often facilitated by using the Lagrangian approach rather than the more complex and computationally expensive Volume-of-Fluid (VOF) approach. However, most Lagrangian breakup models rely on empirical constants that must be fully calibrated for jets in crossflow and representative conditions. A hybrid approach could deliver a better compromise between accuracy and computational cost. This study proposes and validates a novel numerical methodology for coupling the VOF and Lagrangian approaches using a stochastic breakup model with Adaptive Mesh Refinements for turbulent liquid fuel jets in crossflow under more representative gas turbine conditions. The predictions were validated in the near and far-field regions using datasets at high pressures (1-8 bar), Weber numbers (720-1172), and momentum flux ratios (6-33). The predictive capabilities and computational cost were also compared to the Lagrangian approach coupled with large eddy simulations (LES) and with the unsteady Reynolds-Averaged Navier-Stokes (RANS) methodology previously developed and validated by the authors. The effect of different VOF-Lagrangian transition criteria on the computational cost was also assessed and recommendations were provided for further improvements. The overall LES predictions were significantly improved by the proposed hybrid methodology. Although it tends to underpredict the spray trajectory and Sauter Mean Diameter compared to the URANS methodology, it better captures the diameter in the wake region and the droplet velocities. [ABSTRACT FROM AUTHOR]

In order to study the breakup and atomization mechanisms of the fuel-jet in air crossflow and realize the accurate and controllable atomization effect of fuel, this paper proposes a method by coupling the large eddy simulation method and the VOF to DPM method. The results show that the breakup and atomization of the fuel-jet are mainly caused by the Rayleigh–Taylor (R–T) unstable surface wave and the Kelvin–Helmholtz (K–H) instability. The density of fuel-particles is higher near the central region of the fuel jet trajectory, decreasing as distance from the central region increases. As the momentum ratio increases, the penetration depth of the fuel-jet column also increases, resulting in a more concentrated spatial distribution of fuel particles. Conversely, with a lower momentum ratio, the spatial distribution of fuel particles becomes more uniform. For the spatial distribution of fuel particles, a new mathematical model is established to characterize the spatial distribution boundary of fuel particles. At the same momentum ratio, the higher the air velocity, the smaller the average particle diameter. At the same Weg number, the higher the fuel-jet velocity, the higher the average particle diameter. The relative error of the average particle diameter between the experiment and numerical simulation is very small, which is 6.4%. [ABSTRACT FROM AUTHOR]

Electrospray (ES) has attracted significant interest due to its advantages in generating uniform droplets and enabling controlled deposition. However, the complex interactions and droplet motion mechanisms between fluids and electric fields are still not well understood. Herein, this study presents a three-dimensional numerical model based on the volume of fluid and Lagrangian approaches to simulate the ES process in the pulsed jet mode. The model accurately captures the morphology and the atomization characteristics in the pulsed jet mode of ES. The effects of voltage and Reynolds number on the length of the non-atomized zone (including quasi-static Taylor cone, transition zone, and jet), diameter of the jet breakup, and atomization characteristics are discussed. Also, the mechanism of atomized droplets is revealed by analyzing the magnitudes of different types of forces imposing on the droplets in the electric field. The results indicate that higher Reynolds numbers lead to increased length of non-atomized zone and diameter of jet breakup, while the elevated voltages enhance atomization. Electric and Coulomb forces are, respectively, the dominant forces of forming the jet and expanding the atomization angle. Coulomb force increases the atomization angle, and electric field force increases the velocity of atomized droplets. Gravity and drag-force effects are relatively negligible throughout the atomization process. These findings contribute to a better understanding of the electrospray mechanisms and provide insights for optimizing electrospray applications. [ABSTRACT FROM AUTHOR]

In the field of preparation of cerium oxide by Venturi jet pyrolysis reactor, the spray pyrolysis process can achieve energy saving and environmental protection. The atomization effect of transverse air flow on the droplet directly affects the morphology of the product, and this research can improve the high value of cerium oxide applications. In this paper, a novel Venturi jet pyrolysis reactor has been developed. The atomization stage in the preparation process was studied by combining experiment and numerical simulation. The results show that the entire atomization process can be divided into primary atomization and secondary atomization. The primary atomization process of the liquid jet consists of columnar fragmentation and surface fragmentation, which are dominated by Rayleigh–Taylor (R-T) instability and Kelvin–Helmholtz (K-H) instability respectively. In the process of atomization of liquid column, the increase in gas velocity helps to promote the atomization. The Sauter mean Diameter value at 35 and 40 m/s gas velocity is the smallest, and the atomization effect of Venturi reactor is the best. With the increase in Weissenberg number (Wi), the crushing mode of droplets in Venturi reactor gradually changes from envelope to envelope—core and further evolves into core-layer. The core-layer crushing effect is the best, and the distribution range of daughter droplets is larger. The crushing state of atomized droplets in Venturi reactor is summarized. When Wi < 12, it is vibration crushing; when 12 < Wi < 30, it is packet crushing; when 30 < Wi < 45; it is pack-core crushing; and when 45 < Wi < 75, it is stamen-layer breakage. [ABSTRACT FROM AUTHOR]

Utilizing magnesium chloride (MgCl2) in the ammonia method to prepare magnesium hydroxide (MH) flame retardant products holds significant importance. This study introduces a novel approach for MH preparation, leveraging atomization technology to enhance the ammonia method. An experimental device for atomization-enhanced MH synthesis was developed. Atomization technology alters the reaction scale of the original reactor, generating microscale droplets that diminish the macroscopic reaction scale to the microscale. Computational fluid dynamics simulations demonstrate that adjusting gas and liquid supply pressures effectively enhances atomization performance. Optimal atomization is achieved at a gas supply pressure of 0.3 MPa and liquid supply flow rate of 60 l/h, producing micrometer-level droplets. Experimental results reveal sharp x-ray diffraction diffraction peaks in the transformed MH product, exhibiting a smooth substrate, high intensity, absence of impurities, and high purity. The MH conversion rate peaks at 76.2%. This study pioneers a novel avenue for future nanomaterial reactor development. [ABSTRACT FROM AUTHOR]

Copyright of Chinese Journal of Computational Mechanics / Jisuan Lixue Xuebao is the property of Chinese Journal of Computational Mechanics Editorial Office, Dalian University of Technology and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Food Research & Development is the property of Food Research & Development Editorial Department and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

This study presents an improved comprehensive atomization model for a pressure swirl atomizer. The model integrates internal flow predictions, linear instability analysis of a swirling annular liquid sheet, primary atomization sub-model, and droplet velocity sub-model. Measurement data combined with the inviscid theory model predict the internal flow, providing liquid sheet velocity and thickness at the atomizer outlet. The dispersion relation of surface disturbances is obtained through linear instability analysis. A primary breakup predictive model for particle size distribution is constructed based on the wavelength and growth rate within the full unstable wavenumber range of the dispersion relation. Assuming uniform circumferential distribution and a normal distribution of spray angles, the droplet velocity is assigned according to the liquid sheet velocity. The model is implemented into Eulerian–Lagrangian simulations as initial conditions for discrete phase droplets to simulate the spray field. Results show the model can accurately predict the Sauter mean diameter with an error of less than 6% and effectively predicts the spray structure and spray cone angle. The dependency of the model on its parameters is also studied, determining that the values of the ligament constant and dispersion angle have an obvious impact on the prediction of Sauter mean diameter and spray structure. [ABSTRACT FROM AUTHOR]

This study investigated the impact of varying atomization amounts on composite machining involving both atomized electrical discharge ablation machining and electrochemical machining (EDAM-ECM). Additionally, this study examined the effects of different atomization amounts on the material removal rate, relative electrode wear rate, processing waveforms, surface roughness, surface morphology and elements, and the EDAM-to-ECM ratio. Moreover, a theoretical model for describing the material removal process in composite processing was developed. Furthermore, the effect of the ECM ratio on the processing results was quantitatively analyzed through the integration of statistical circuits with a formula for calculating recast layer thickness. The model was used to predict and select the optimal atomization amounts required to achieve recast layer removal during processing. The results revealed that at an atomization amount of 200 mL/min, 16.7% of the total material removal was attributable to ECM, indicating the successful removal of the recast layer. At this atomization amount, the fabricated sample maintained a machining precision of 0.02 mm. [ABSTRACT FROM AUTHOR]

In heat engines utilizing fuel injection, the processes of atomization and spray formation have a significant impact on the combustion process, thereby determining both efficiency and emission characteristics. Accurate prediction and control of spray formation in fuel injection systems play a key role in improving the efficiency and environmental performance of thermal engines, especially with the emergence of carbon-neutral fuels. To achieve accurate prediction of spray mixture formation, it is imperative to refine the atomization model for the liquid jet within numerical simulations. This requires a phenomenological representation of the atomization process that avoids reliance on computational constants obtained from spray experimental results. Consequently, the present study attempts to mathematically model the turbulent nozzle flow and liquid jet atomization process, leading to the development of a novel primary breakup model. The construction of the primary breakup model involves an analysis of the turbulence at the nozzle inlet. By merging this turbulence with the turbulence resulting from wall shear flow within the nozzle, the model provides insight into the internal turbulence and surface instability of the liquid jet, encompassing the turbulence spectrum. Consequently, the influence of nozzle length on the turbulent flow within the nozzle can be understood, and the droplet formation characteristics of the liquid jet can be predicted along with its multi-wavelength dispersion characteristics. The model effectively captures the experimental results in terms of breakup length and droplet dispersion characteristics, thus adding a higher level of accuracy to numerical simulations. Ultimately, the in-depth study of this model, coupled with its comparison with experimental results, enhances the understanding of the liquid jet atomization process. [ABSTRACT FROM AUTHOR]

Copyright of Advances in New & Renewable Energy is the property of Editorial Office of Advances in New & Renewable Energy and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

An efficient implementation for approximate inclusion of the three-body operator arising in transcorrelated methods via exclusion of explicit three-body components (xTC) is presented and tested against results in the "HEAT" benchmark set [Tajti et al., J. Chem. Phys. 121, 011599 (2004)]. Using relatively modest basis sets and computationally simple methods, total, atomization, and formation energies within near-chemical accuracy from HEAT results were obtained. The xTC ansatz reduces the nominal scaling of the three-body part of transcorrelation by two orders of magnitude to O ( N 5 ) and can readily be used with almost any quantum chemical correlation method. [ABSTRACT FROM AUTHOR]

A new approach for generating Gaussian basis sets is reported and tested for atoms from H to Ne. The basis sets thus calculated, named SIGMA basis sets, range from DZ to QZ sizes and have the same composition per shell as Dunning basis sets but with different treatment of the contractions. The standard SIGMA basis sets and their augmented versions have proven to be very suitable for providing good results in atomic and molecular calculations. The performance of the new basis sets is analyzed in terms of total, correlation, and atomization energies, equilibrium distances, and vibrational frequencies in several molecules, and the results are compared at several computational levels with those obtained with the corresponding Dunning and other basis sets. [ABSTRACT FROM AUTHOR]

We investigate the optimization of flexible tailored real-space Jastrow factors for use in the transcorrelated (TC) method in combination with highly accurate quantum chemistry methods, such as initiator full configuration interaction quantum Monte Carlo (FCIQMC). Jastrow factors obtained by minimizing the variance of the TC reference energy are found to yield better, more consistent results than those obtained by minimizing the variational energy. We compute all-electron atomization energies for the challenging first-row molecules C2, CN, N2, and O2 and find that the TC method yields chemically accurate results using only the cc-pVTZ basis set, roughly matching the accuracy of non-TC calculations with the much larger cc-pV5Z basis set. We also investigate an approximation in which pure three-body excitations are neglected from the TC-FCIQMC dynamics, saving storage and computational costs, and show that it affects relative energies negligibly. Our results demonstrate that the combination of tailored real-space Jastrow factors with the multi-configurational TC-FCIQMC method provides a route to obtaining chemical accuracy using modest basis sets, obviating the need for basis-set extrapolation and composite techniques. [ABSTRACT FROM AUTHOR]

Vacuum induction-melting gas atomization (VIGA) is considered a widely applied method to prepare metal powders. However, the nozzle clogging problem in the VIGA process seriously affects the continuity of production and greatly increases the economic and time costs. In the atomization initial stage, the existence of unsteady state atomization mainly results in the nozzle clogging challenge. To understand the formation mechanism of nozzle clogging, a computational fluid dynamics (CFD) model was established to simulate the influence of unsteady state atomization sequence on the primary atomization of alloy melt. Typically, there are two kinds of sequence including starting the gas before pooling the alloy (namely, GA) and pouring the alloy before opening the gas (AG). The movement trajectory of the alloy melt droplet at the end of the delivery-tube was clarified. Based on CFD simulation, the atomization sequence of AG and GA was precisely controlled in the atomization pressure range of 2.5 MPa, 3.5 MPa, and 4.5 MPa to address the nozzle clogging issue. In the GA process, relatively finer powder was obtained at 3.5 MPa without nozzle clogging occurring. In contrast, the AG process greatly reduces the probability of nozzle clogging at 2.5–4.5 MPa, the final prepared powder is coarser. The predicted results of industrial experiments and numerical simulations are consistent. This study provides theoretical support for understanding the formation mechanism of nozzle clogging during the VIGA process.

This article reports the design and experiment of a novel air-assisted nozzle for pesticide application in orchard. A novel air-assisted nozzle was designed based on the transverse jet atomization pattern. This article conducted the performance and deposition experiments and established the mathematical model of volume median diameter (D50) and liquid flow rate with the nozzle design parameters. The D50 of this air-assisted nozzle ranged from 52.45 mmto 113.67 mm, and the liquid flow rate ranged from 142.6 ml/min to 1,607.8 ml/min within the designed conditions. These performances meet the low-volume and ultra-low-volume pesticide application in orchard. The droplet deposition experiment results demonstrated that the droplet coverage distribution in different layers and columns is relatively uniform, and the predicted value of spray penetration (SP) numbers SPiA, SPiB, and SPiC (i =1,2,and3)are approximately 70%, 60%, and 70%, respectively. The droplet deposits on the foliage of the canopy (inside and outside) uniformly bring benefit for plant protection and pesticide saving. Compared with the traditional air-assisted nozzle that adopts a coaxial flow atomization pattern, the atomization efficiency of this air-assisted nozzle is higher. Moreover, the nozzle air pressure and liquid flow rate are considerably lower and greater than the traditional air-assisted nozzle, and these results proved that this air-assisted nozzle has great potential in orchard pesticide application. The relationship between the D50 and nozzle liquid pressure of this air-assisted nozzle differs from that of traditional air-assisted nozzles due to the atomization pattern and process. While this article provides an explanation for this relationship, further study about the atomization process and mechanism is needed so as to improve the performance. [ABSTRACT FROM AUTHOR]

Salt particles generated by aerosol generator are commonly used in air filtration test. As a common phenomenon, the number of generated particles increases with the salt concentration in the atomization solution. Thus far, the dependence of the particle number on the concentration of the atomization solution is not fully understood. In this study, two hypotheses were proposed to explain this phenomenon: i) a single droplet generates multiple solid particles, and the generated particle number is influenced by the salt concentration, and ii) the original droplet number increases with an increase in the salt concentration of the atomization solution. By observing the particle formation process of the levitated millimeter-scale NaCl droplet, one droplet was found to generate one particle in free air. However, whether these results are applicable to micrometer-scale droplets remains to be determined. In situ measurements were performed to detect the size distributions of the original droplets generated by the atomization solutions with various salt concentrations. A more concentrated atomization solution induced a higher number of original droplets. Particle formation patterns of droplets on glass substrates and filaments were demonstrated. Traditional observation methods for droplet drying are unsuitable for studying the particle formation of atomized droplets because of the large difference in droplet size and the existence of external forces. [ABSTRACT FROM AUTHOR]

Copyright of Revista Nutrición Clínica y Dietética Hospitalaria is the property of Sociedad Espanola de Dietetica y Ciencias de la Alimentacion and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Based on industrial atomization devices, the efficiency of atomization and fumigation has been improved through hardware and software modifications and process design of atomization and fumigation equipment. By adding three sets of medicine and fumigant boxes and introducing a high-pressure atomization machine and an ultramicro-atomization nozzle, the diversity of the atomization and fumigation options was increased and the automatic proportioning of fumigants (ratio ranges of 1:1-1:200) was achieved. The optimal pressure of the high-pressure atomization machine 5.0 MPa, whereas the optimal mode was intermittent atomization for 75 s when an acrylic fumigation box was used. In a storage warehouse of 550 m3, the optimal pressure for the high-pressure atomization machine was 6.5 MPa, whereas the optimal operation mode was continuous atomization for 7 min, followed by natural precipitation of the fumigant natural for 3 min. The ultramicro-atomization nozzles were installed at 1 m intervals and the placement area of the specimens for atomization and fumigation were located 50 cm away from the wall of the warehouse and vertically 0.5~1.0 m below the ultramicro-atomization nozzles. Fumigation treatment with 40 mmol/L salicylate (SA) was effective in maintaining the storage quality of 'Xiaobai' and 'Saimaiti' apricots. At the end of the 7 day storage period, firmness of 'Xiaobai' apricots was 8.72 N, whereas the soluble solids (TSS) and titratable acid (TA) contents were 15.9% and 0.49%, respectively, representing 1.66-, 1.10-, and 1.58-fold increase compared to those of the control group, respectively. The decay rate was 0 after treatment with 40 mmol/L SA. The firmness of the Saimaiti apricots was 9.01 N, whereas TSS and TA contents were 13.5% and 0.67%, respectively (1.57-, 1.69-, and 1.60-fold higher than those of the control group, respectively). The decay rate was also 0 for Saimaiti apricots fumigated using SA. These results provide insights and technical support for the application of atomization and fumigation technologies in the storage and preservation of fresh apricots. [ABSTRACT FROM AUTHOR]

Coal mine acid drainage is a type of industrial wastewater generated in the process of coal production and utilization that has a low pH and contains a small amount of organic matter and SO42−, which is harmful to the environment. The ·OH scavenger was used to optimize the grounded electrode atomized corona discharge (GEACD) technology for the treatment of coal mine acidic wastewater. The effects of various factors on the discharge effect were investigated, and the optimal operating scheme for the subsequent test was determined as 35 mm distance between barrel electrodes, 0.6 mm diameter of wire electrodes, and a flow rate of 45 mL/min. The effects of discharge voltage, discharge time, and ·OH scavenger on COD removal rate and pH in coal mine acid drainage were also investigated. The results showed that at the optimum discharge voltage of 12 kV, discharge time of 66 min, and SO42− to ethanol concentration ratio of 1, the COD value decreased from 152.84 mg/L to 43.27 mg/L, and the pH value increased from 5.6 to 6.1. [ABSTRACT FROM AUTHOR]

Atomization is a treatment method to make inhaled liquids into aerosols and transport them to target organs in the form of fog or smoke. It has the advantages of improving the bioavailability of drugs, being painless, and non-invasive, and is now widely used in the treatment of lung and oral lesions. Aerosol inhalation as the route of administration of therapeutic proteins holds significant promise due to its ability to achieve high bioavailability in non-invasive pathways. Currently, a great number of therapeutic proteins such as alpha-1 antitrypsin and Dornase alfa are effective. Recombinant humanized collagen type III (rhCol III) as a therapeutic protein is widely used in the biomedical field, but atomization is not a common route of administration for rhCol III, presenting great potential for development. However, the structural stability of recombinant humanized collagen after atomization needs further investigation. This study demonstrated that the rhCol III subjected to atomization through compressed air had retained its original molecular weights, triple helical structures, and the ability to promote cell adhesion. In other words, the rhCol III can maintain its stability after undergoing atomization. Although more research is required to determine the efficacy and safety of the rhCol III after atomization, this study can lay the groundwork for future research. [ABSTRACT FROM AUTHOR]

The encapsulation of β-carotene was investigated using pullulan and whey protein isolate (WPI) as a composite matrix at a weight ratio of 20:80, employing both spray-drying and freeze-drying techniques. The influence of processing parameters such as the concentration of wall material, flow rate, and inlet temperature for SP encapsulants, as well as wall-material concentration for FZ encapsulants, was examined in terms of encapsulation efficiency (EE). The morphology, structural characterization, moisture sorption isotherms, and thermal properties of the resulting encapsulants at optimum conditions were determined. Their stability was investigated under various levels of water activity, temperature conditions, and exposure to UV–Vis irradiation. β-carotene was efficiently encapsulated within SP and FZ structures, resulting in EE of approximately 85% and 70%, respectively. The degradation kinetics of β-carotene in both structures followed a first-order reaction model, with the highest rate constants (0.0128 day−1 for SP and 0.165 day−1 for FZ) occurring at an intermediate water-activity level (aw = 0.53) across all storage temperatures. The photostability tests showed that SP encapsulants extended β-carotene's half-life to 336.02 h, compared with 102.44 h for FZ encapsulants, under UV–Vis irradiation. These findings highlight the potential of SP encapsulants for applications in functional foods, pharmaceuticals, and carotenoid supplements. [ABSTRACT FROM AUTHOR]