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A review on numerical studies of airflow dynamics and particle deposition in human respiratory system 人体呼吸系统气流动力学和颗粒沉积数值研究综述
IF 3.5 2区 材料科学 Q2 Chemical Engineering Pub Date : 2024-04-24 DOI: 10.1016/j.partic.2024.04.006
Hao Jing, Xinguang Cui

Accurate assessment and prediction of airflow dynamics and particle deposition in the human respiratory tract are essential for human health, involving inhaled drugs for treating various diseases and toxic particles that can cause illnesses. This intricate process involves complex multiphase flow with distinct respiratory characteristics. Computational fluid dynamics (CFD) acts as a bridge, overcoming the limitations of in vivo and in vitro experiments and providing a means to fully comprehend and reveal the fundamental mechanisms of respiratory flow and particle behavior on a microscopic scale. This paper provides a comprehensive overview and concise summary of recent advancements in the numerical simulation of airflow and particle deposition in the human respiratory tract. Particularly, it summarizes the transition of respiratory tract models from segmented models to emerging physiological characteristic models and whole-lung airway models, and the latest developments on the effects of key factors such as geometric variations, respiratory patterns, and particle physical/chemical properties on respiratory flow and particle deposition. A notable focus of this review is on emerging physiological characteristics models and their associated complex airflow and particle dynamics inside it. The paper concludes with recommendations for future research to further advance the development of this field.

准确评估和预测人体呼吸道中的气流动力学和颗粒沉积对人类健康至关重要,这涉及到治疗各种疾病的吸入药物和可能致病的有毒颗粒。这一错综复杂的过程涉及具有明显呼吸特性的复杂多相流。计算流体动力学(CFD)是一座桥梁,它克服了体内和体外实验的局限性,为在微观尺度上全面理解和揭示呼吸道流动和颗粒行为的基本机制提供了一种手段。本文全面概述并简明扼要地总结了对人体呼吸道气流和颗粒沉积进行数值模拟的最新进展。特别是,它总结了呼吸道模型从分段模型到新兴生理特征模型和全肺气道模型的转变,以及几何变化、呼吸模式和粒子物理/化学特性等关键因素对呼吸道气流和粒子沉积影响的最新进展。本综述的一个值得注意的重点是新出现的生理特征模型及其内部相关的复杂气流和粒子动力学。论文最后提出了未来研究的建议,以进一步推动这一领域的发展。
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引用次数: 0
Facile interfacial synthesis of gold micronails with adjustable length and roughness and their superior SERS properties for the detection of p-aminothiophenol 可调节长度和粗糙度的金微钉的简易界面合成及其用于检测对氨基苯硫酚的优异 SERS 特性
IF 3.5 2区 材料科学 Q2 Chemical Engineering Pub Date : 2024-04-24 DOI: 10.1016/j.partic.2024.04.005
Hang Li , Kaisheng Yao , Tianhang Liu , Weiwei Lu , Haili Zhao

Au hierarchical architectures with special morphology and structures are strongly desired in varied applications. Herein, a simple synthesis method was developed for the one-step preparation of Au micronails (MNs) at the planar liquid-liquid interface under mild conditions. The well-defined Au MNs were grown and constructed at CHCl3–H2O interface at room temperature using aniline in CHCl3 as reducing agent and HAuCl4 in H2O as precursor and no surfactant or seed is required. The intriguing Au MNs with rough surface consist of big heads and thin rods, just like iron nails in outline. Furthermore, through simple changing the reagent concentrations, the length and surface roughness of Au MNs can be adjusted conveniently. The effects of a series of factors on the morphology and structure of the products are studied in detail. With p-aminothiophenol as a molecular probe, the as-obtained Au MNs all exhibit dramatically improved surface enhanced Raman scattering sensitivity and high reproducibility, the enhancement factor and limit of detection of Au MNs are 5.4 × 105 and 1.0 × 10−10, respectively.

具有特殊形态和结构的金分层结构在各种应用中都有着强烈的需求。本文开发了一种简单的合成方法,可在温和的条件下在平面液-液界面上一步制备金微钉 (MN)。以苯胺在 CHCl3 中的反应为还原剂,以 HAuCl4 在 H2O 中的反应为前驱体,无需表面活性剂或种子,即可在室温下于 CHCl3-H2O 界面生长并构建出定义明确的金微粒。最终得到的金 MNs 表面粗糙,由大头和细杆组成,外形酷似铁钉。此外,通过简单改变试剂浓度,还可以方便地调节金 MNs 的长度和表面粗糙度。我们还详细研究了一系列因素对产品形态和结构的影响。以对氨基苯硫酚为分子探针,得到的金 MNs 均表现出显著的表面增强拉曼散射灵敏度和高重现性,金 MNs 的增强因子和检出限分别为 5.4 × 105 和 1.0 × 10-10。
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引用次数: 0
Numerical study of particle behaviours and heat transfer in a complex rotary kiln 复杂回转窑中颗粒行为和传热的数值研究
IF 3.5 2区 材料科学 Q2 Chemical Engineering Pub Date : 2024-04-23 DOI: 10.1016/j.partic.2024.04.004
Qingshan Jian , Hailin Gu , Kaige Wang , Shuai Wang , Mingxiu Zhan , Jinqing Wang , Longjie Ji , Zuohe Chi , Guangxue Zhang

Rotary kiln is widely used for thermal disposal of solid waste due to its effectiveness and high efficiency in recent years. To further improve the processing efficiency, a newly designed rotary kiln with three-section structure is proposed, and the behaviours of particle motion and heat transfer are investigated. Firstly, a lab-scale rotary kiln is manufactured, and experiments are carried out. Verified by experimental data, a CFD-DEM numerical model is developed to analyze the particle motion and heat transfer characteristics with the effects of inlet flue gas temperature, feeding rate and rotating speed. The results show that the outlet temperature increases linearly with the flue gas temperature, while it is negatively correlated with the feeding rate and rotating speed. In addition, the volumetric heat transfer coefficient in this complex rotary kiln is analyzed, the overall heat transfer coefficient is between 200 and 700 W/(m3 K).

近年来,回转窑以其高效率和高效益被广泛用于固体废弃物的热处理。为进一步提高处理效率,提出了一种新设计的三段式结构回转窑,并对颗粒运动和传热行为进行了研究。首先,制造了实验室规模的回转窑,并进行了实验。在实验数据的验证下,建立了 CFD-DEM 数值模型,分析了颗粒在入口烟气温度、喂料量和转速影响下的运动和传热特性。结果表明,出口温度与烟气温度呈线性增长,而与进料速率和转速呈负相关。此外,还分析了该复杂回转窑的容积传热系数,总体传热系数在 200 至 700 W/(m3 K)之间。
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引用次数: 0
Combustion characteristics of millimeter-sized aluminum particles in fluidized bed under various O2/CO2/H2O atmospheres 不同 O2/CO2/H2O 大气条件下流化床中毫米级铝颗粒的燃烧特性
IF 3.5 2区 材料科学 Q2 Chemical Engineering Pub Date : 2024-04-19 DOI: 10.1016/j.partic.2024.04.003
Jialing Zhou , Rui Zhang , Dong Liu

Aluminum is an attractive alternative fuel, but it burns very inefficiently due to the formation of a dense Al2O3 layer which prevents O2 from diffusion to the surface of Al particles. In previous experiments, the combustion of millimeter-sized Al (mAl) particles in the fluidized bed has achieved a substantial increase in the combustion efficiency, but further improvements are still needed. In this study, the effects of reaction atmosphere on the fluidized combustion of mAl particles were investigated. The experiments with different O2/H2O/CO2 concentrations were conducted. The experimental results indicate that the combustion efficiency of mAl particles in fluidized bed increases as the mole fraction of O2, H2O or CO2 increases, and the highest combustion efficiency can reach 38.7%. After the analysis of the oxide film on the surface of aluminum particles, it was found that it is easier to generate the unstable θ-Al2O3 under CO2 atmosphere, and it is easier to generate the unstable γ-Al2O3 and θ-Al2O3 under H2O atmosphere. The unstable Al2O3 film is more likely to be abraded in the fluidized bed, which leads to the effective improvement of the combustion efficiency.

铝是一种极具吸引力的替代燃料,但由于形成了致密的 Al2O3 层,阻止了氧气向铝颗粒表面的扩散,因此铝的燃烧效率非常低。在之前的实验中,在流化床中燃烧毫米大小的铝(mAl)颗粒已实现了燃烧效率的大幅提高,但仍需进一步改进。本研究调查了反应气氛对毫米级铝颗粒流化燃烧的影响。实验采用不同的 O2/H2O/CO2 浓度。实验结果表明,mAl 颗粒在流化床中的燃烧效率随着 O2、H2O 或 CO2 分子分数的增加而提高,最高燃烧效率可达 38.7%。经过对铝颗粒表面氧化膜的分析发现,在 CO2 气氛下更容易生成不稳定的θ-Al2O3,在 H2O 气氛下更容易生成不稳定的γ-Al2O3 和θ-Al2O3。不稳定的 Al2O3 薄膜更容易在流化床中被磨损,从而有效提高燃烧效率。
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引用次数: 0
Extract lithium from clay-type lithium ore by mixed acid and its mechanism 用混合酸从粘土型锂矿中提取锂及其机理
IF 3.5 2区 材料科学 Q2 Chemical Engineering Pub Date : 2024-04-16 DOI: 10.1016/j.partic.2024.04.001
Wuchang Zhou , Ruiqi Xie , Xiong Tong , Xian Xie , Yang Liu , Zhihui Zhao

A roasting-leaching test was carried out for the efficient utilization of clay-type lithium ore in the central region of Yunnan province. The test used the mixed acid of sulfuric acid and phosphoric acid as the leaching agent. Under the conditions of roasting temperature of 600 °C, roasting time of 1 h, liquid-solid ratio of 5:1, volume ratio of H2SO4 solution to H3PO4 solution of 45:5, leaching time of 2 h and leaching temperature of 80 °C, the leaching rate of lithium was as high as 97.83%. The leaching mechanism was studied by SEM, pore property analysis, XRD and XPS. It was found that the morphology of the ore changed obviously after roasting and leaching, and a certain degree of collapse and fragmentation occurred, which provided favorable spatial conditions for the leaching of lithium. The porosity, total intrusion volume and total pore area also increased after roasting and leaching, thus promoting the leaching of Li+. The results showed that chemical reaction taken placed during the roasting and leaching. The phase of the sample changed from chlorite, kaolinite and diaspore (boehmite) mainly to corundum, hematite, periclase and quartz after roasting. However, after leaching, no new phase was produced in the ore sample, and no S and P elements were found on the surface of the ore sample, indicating that the leaching mechanism of lithium might be the ion exchange between H+ and Li+.

为有效利用云南省中部地区的粘土型锂矿,进行了焙烧浸出试验。试验采用硫酸和磷酸混合酸作为浸出剂。在焙烧温度为 600 ℃、焙烧时间为 1 h、液固比为 5:1、H2SO4 溶液与 H3PO4 溶液的体积比为 45:5、浸出时间为 2 h、浸出温度为 80 ℃的条件下,锂的浸出率高达 97.83%。通过扫描电镜、孔隙性质分析、XRD 和 XPS 对浸出机理进行了研究。研究发现,矿石经过焙烧和浸出后形态发生了明显变化,出现了一定程度的崩塌和破碎,为锂的浸出提供了有利的空间条件。焙烧和浸出后,矿石的孔隙率、总侵入体积和总孔隙面积也有所增加,从而促进了 Li+ 的浸出。结果表明,焙烧和浸出过程中发生了化学反应。焙烧后,样品的物相由绿泥石、高岭石和透辉石(沸石)为主转变为刚玉、赤铁矿、透辉石和石英。但浸出后,矿样中没有产生新的物相,矿样表面也没有发现 S 和 P 元素,这表明锂的浸出机制可能是 H+ 与 Li+ 之间的离子交换。
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引用次数: 0
A clean disposal method of carbide slag with carbon emission reduction: Used as a flux for iron ore sintering 可减少碳排放的碳化炉渣清洁处置方法:用作铁矿石烧结的助熔剂
IF 3.5 2区 材料科学 Q2 Chemical Engineering Pub Date : 2024-04-16 DOI: 10.1016/j.partic.2024.03.012
Hanxiao Meng, Jiankang Wang, Xiang Liu, Kelang Jin, Lei Zhang, Hao Zhou

Limestone or quicklime is a necessary flux in the iron ore sintering process. Its production and application process will cause CO2 emissions and various environmental pollution, but this has not attracted enough attention. Carbide slag (CS) is a calcium-rich solid waste produced in acetylene production, the harmless disposal of which is still incomplete, resulting in soil and groundwater pollution. This study investigated the granulation characteristics and sintering performance of the sintering mixture with different proportions of CS. The results show that replacing limestone with an appropriate proportion of CS is promising and beneficial to the formation of high-quality bonding phase. When CS accounts for 75% of the total mass of CS and limestone, the tumbler index increases by 8.10% and the comprehensive index decreases only from 100 to 96.16, which is within the acceptable range. The application of CS in iron ore sintering can achieve a clean disposal of it and a considerable carbon emission reduction, as the main component of which is Ca(OH)2.

石灰石或生石灰是铁矿石烧结过程中必需的助熔剂。其生产和应用过程中会造成二氧化碳排放和各种环境污染,但尚未引起足够重视。电石渣(CS)是乙炔生产过程中产生的一种富含钙的固体废弃物,其无害化处理仍不彻底,会造成土壤和地下水污染。本研究考察了不同比例 CS 烧结混合物的造粒特性和烧结性能。结果表明,用适当比例的 CS 替代石灰石是有前景的,有利于形成高质量的结合相。当 CS 占 CS 和石灰石总质量的 75% 时,翻滚指数增加了 8.10%,综合指数仅从 100 降至 96.16,在可接受范围内。由于 CS 的主要成分是 Ca(OH)2,因此在铁矿石烧结中应用 CS 可以实现铁矿石的清洁处理和可观的碳减排。
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引用次数: 0
Effects of physical properties of supercritical water on heat transfer characteristics of single particle within a particle cluster 超临界水的物理性质对粒子团内单个粒子传热特性的影响
IF 3.5 2区 材料科学 Q2 Chemical Engineering Pub Date : 2024-04-16 DOI: 10.1016/j.partic.2024.04.002
Xiaoyu Li, Bowei Zhang, Huibo Wang, Hui Jin

The complex physical properties of supercritical water (SCW) make the heat transfer characteristics of particles within a particle cluster complicated. The heat transfer characteristics of single particle within a particle cluster in SCW, influenced by surrounding particles, have not been effectively explored. The numerical simulations were conducted to investigate the heat transfer characteristics of particle clusters in SCW under different conditions. The results were compared and analyzed with those from constant property flow. It was found that Reynolds number (Re) and the void fraction of particle cluster have no special effects on the variation trends of Nusselt number (Nu) for the focused particle. However, the particle temperature had a significant effect on the variation trends of Nu. The effect of Re on the heat transfer rate exponent (η) of the focused particle can be divided into two zones: a significant effect zone and a non-significant effect zone. The effect of void fraction on η in the non-significant effect zone was minimal. Within the non-significant effect zone, η decreased with the increasing particle temperature. In the significant effect zone, the variation trends of η became more complex. The fundamental reason for this series of phenomena is the changes in distribution of physical properties. A model for η was developed for the non-significant effect zone. This model can filter out the effects of Re and certain particle cluster spatial configurations, and it demonstrates good predictive performance.

超临界水(SCW)的物理特性复杂,使得颗粒团内颗粒的传热特性也变得复杂。目前尚未有效探讨超临界水中颗粒团内单个颗粒受周围颗粒影响的传热特性。本文通过数值模拟研究了颗粒团在不同条件下的传热特性。结果与恒定性质流动的结果进行了比较和分析。结果发现,雷诺数()和颗粒团的空隙率对聚焦颗粒的努塞尔特数()的变化趋势没有特殊的影响。然而,颗粒温度对聚焦颗粒的传热速率指数()的变化趋势有显著影响。 颗粒温度对聚焦颗粒传热速率指数()的影响可分为两个区域:显著影响区和非显著影响区。在非显著影响区,空隙率对的影响很小。在非显著效应区内,空隙率随颗粒温度的升高而降低。在显著效应区,空隙率的变化趋势变得更加复杂。造成这一系列现象的根本原因是物理性质分布的变化。针对非显著效应区建立了一个模型。该模型可以过滤掉某些粒子群空间构型的影响,并表现出良好的预测性能。
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引用次数: 0
Study on viscosity mechanism of caffeine crystallization solutions 咖啡因结晶溶液的粘度机理研究
IF 3.5 2区 材料科学 Q2 Chemical Engineering Pub Date : 2024-04-12 DOI: 10.1016/j.partic.2024.03.010
Linjing Yu, Min Su

The solid-liquid viscous system formed by high viscosity crystallization solution impacts the flow and separation performance. Therefore, it is very important to study the viscosity mechanism to improve viscosity and regulate crystallization, ensuring a seamless production process. Herein, the viscosity of crystallization solution was taken as the measurement parameter of caffeine as a model drug. We investigated the viscosity mechanism of caffeine crystallization solutions by combining experiment and simulation. The results indicated that the weak interactions between caffeine and water result in increased viscosity of the caffeine crystallization solutions. Moreover, caffeine crystals possess elongated needle-like shapes, featuring a substantial specific surface area. Additionally, there is π-π stacking occurring between the (2 0 0) crystal face and (1 1 0) crystal face, effectively fostering coalescence of the crystals towards the radial side of the crystal along its elongated axis, resulting in a more viscous crystallization system. The results contribute to comprehending the viscosity mechanism of crystal systems and provide theoretical foundation to enhance engineering efficiency in crystallization.

高粘度结晶溶液形成的固液粘稠体系会影响流动和分离性能。因此,研究粘度机理对提高粘度、调节结晶、确保生产过程无缝衔接非常重要。本文以咖啡因为模型药物,以结晶溶液的粘度为测量参数。我们通过实验和模拟相结合的方法研究了咖啡因结晶溶液的粘度机理。结果表明,咖啡因与水之间的弱相互作用导致咖啡因结晶溶液的粘度增加。此外,咖啡因结晶呈细长的针状,具有很大的比表面积。此外,(2 0 0)晶面和(1 1 0)晶面之间存在π-π堆积,有效地促进了晶体沿其细长轴线向晶体径向一侧的凝聚,从而形成了一个粘度更高的结晶体系。研究结果有助于理解晶体体系的粘性机理,并为提高结晶工程效率提供理论基础。
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引用次数: 0
Residence time distribution of wood chips in a semi-industrial multiple hearth furnace using RFID tracers 使用射频识别(RFID)追踪器测量木屑在半工业化多层炉中的停留时间分布
IF 3.5 2区 材料科学 Q2 Chemical Engineering Pub Date : 2024-04-11 DOI: 10.1016/j.partic.2024.03.009
Elie Lacombe , Muriel Marchand , Capucine Dupont , Denis Maréchal , Thierry Melkior

In continuous biomass torrefaction plants, the products' yields, composition and homogeneity highly depend on the residence time of particles. A characterization of particle residence time distribution (RTD) was therefore carried out in an industrial-scale multiple hearth furnace on poplar wood chips using radio frequency identification tracers. The effects of operating conditions, namely, mass flow rate of biomass, shaft speed of the rabbling system and interdental length on the RTD were studied. The increase of shaft speed and mass flow rate reduces particles’ mean residence time. Lowering the length between two successive teeth also increases the bed speed. Uncontrollable biomass accumulation (also called “bulldozing”) was observed during several tests. This phenomenon is favored by a high mass flow rate of resources, a small interdental length between the teeth and a low shaft speed. RTD measurements were compared to the axial dispersion model. For all tests, the Peclet number is ranging between 20 and 62, indicating that the multiple hearth furnace cannot be modelled as an ideal plug flow reactor.

在连续式生物质热解设备中,产品的产量、成分和均匀性在很大程度上取决于颗粒的停留时间。因此,我们使用射频识别示踪剂在工业规模的多层炉中对杨木屑的颗粒停留时间分布(RTD)进行了表征。研究了运行条件(即生物质的质量流量、耙齿系统的轴速和齿间长度)对 RTD 的影响。轴速和质量流量的增加缩短了颗粒的平均停留时间。降低两个连续齿间的长度也会增加床速。在几次试验中观察到了无法控制的生物质堆积(也称为 "推土机")。资源质量流量大、齿间长度小和轴转速低都有利于这种现象的发生。热电阻测量结果与轴向弥散模型进行了比较。在所有测试中,佩克莱特数都在 20 到 62 之间,这表明多层炉不能被模拟为理想的塞流反应器。
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引用次数: 0
Heterogeneous crystallization of Chlorzoxazone for modulating the physicochemical properties of crystals 氯唑沙宗的异质结晶用于调节晶体的理化性质
IF 3.5 2区 材料科学 Q2 Chemical Engineering Pub Date : 2024-04-11 DOI: 10.1016/j.partic.2024.03.011
Dhayananth Natarajan, Kalaichelvi Ponnusamy, Radhakrishnan Thota Karunakaran

The polymer on modulating the crystal's habit is an evolving research in pharmaceutical crystallization. This study demonstrates the crystal habit modification of chlorzoxazone (CHZ) by heterogeneous crystallization (HC) in the binary solvent acetonitrile-ethanol (A-E (1:1)) in the presence of polyvinylpyrrolidine (PVP) at concentrations of 0.50, 0.75, and 1.00 wt%. The A-E (1:1) and PVP in HC experiments influenced to change the shape of crystals from needle to plate shape and reduced the crystal size producing a lower aspect ratio (in the range of 1.5–2.3). In the presence of PVP, the CHZ size distribution is 65–78 μm which tends to enhance the powder flow-ability of CHZ crystals and as the PVP concentration increases, the nucleation rate decreases. The solubility of size-reduced CHZ crystals at different pH is found to be improved by 1.2–1.4 times. Hence, HC is deemed effective in modifying the physicochemical attributes of CHZ.

调节晶体习性的聚合物是制药结晶领域不断发展的一项研究。本研究展示了氯唑沙宗(CHZ)在二元溶剂乙腈-乙醇(A-E (1:1))中,在聚乙烯吡咯烷(PVP)浓度为 0.50、0.75 和 1.00 wt% 的情况下,通过异相结晶(HC)改变晶体习性的过程。在 HC 实验中,A-E(1:1)和 PVP 使晶体形状从针状变为板状,并减小了晶体尺寸,降低了长宽比(在 1.5-2.3 之间)。在 PVP 的存在下,CHZ 的尺寸分布为 65-78 μm,这往往会提高 CHZ 晶体的粉末流动性,并且随着 PVP 浓度的增加,成核率会降低。粒度减小的 CHZ 晶体在不同 pH 值下的溶解度提高了 1.2-1.4 倍。因此,HC 被认为能有效改变 CHZ 的物理化学属性。
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引用次数: 0
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Particuology
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