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Investigation of sand-geomaterial interface response using fractal theory: particle shape, gradation and surface roughness effects 基于分形理论的砂-岩土界面响应研究:颗粒形状、级配和表面粗糙度效应
IF 4.2 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-09-26 DOI: 10.1016/j.apt.2025.105072
Abdulmuttalip Ari, Suat Akbulut
The geometric properties of sand and geomaterials are considered to be the main factors affecting the interface response. The quantitative characterization of geometric parameters will enhance the engineering understanding of the interfaces. In this study, quantification of particle shape, gradation, and surface roughness parameters was performed with fractal geometry approach inspired by the irregular structures of the material geometries. The interface shear analyses were conducted to determine peak, residual interface friction and dilation angles, coordination number, and contact anisotropy using discrete element numerical method. The analysis parameters were calibrated with the experimental results of a custom-made transparent interface shear box using digital image processing. The analysis results show that the interface friction and dilation angles increase with increasing fractal dimension of particle shape and surface roughness. However, the friction angle exhibits a bell-shaped distribution with the change of the gradation fractal dimension. Moreover, the effect of the gradation fractal dimension on the friction angle differs depending on the roughness level. The rate of contact loss and contact anisotropy follow similar trends to the interface friction angle with changes in fractal dimensions. Considering the fractal dimension of the material geometries, macro and micro scale interface responses were defined and the correlation between these two scales was established.
砂土和岩土材料的几何特性是影响界面响应的主要因素。几何参数的定量表征将增强对界面的工程理解。在本研究中,颗粒形状、级配和表面粗糙度参数的量化采用分形几何方法,灵感来自于材料几何形状的不规则结构。采用离散元数值方法进行界面剪切分析,确定峰值、残余界面摩擦角、膨胀角、配位数和接触各向异性。采用数字图像处理技术,利用定制透明界面剪切箱的实验结果对分析参数进行校准。分析结果表明,随着颗粒形状分形维数和表面粗糙度的增大,界面摩擦角和膨胀角增大。摩擦角随分级分形维数的变化呈钟形分布。分级分形维数对摩擦角的影响随粗糙度的不同而不同。接触损失率和接触各向异性随分形维数的变化趋势与界面摩擦角相似。考虑材料几何形状的分形维数,定义了宏观和微观尺度的界面响应,建立了宏观和微观尺度之间的关系。
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引用次数: 0
Synthesis of Ag-NPs decorated SnO2 for enhanced photocatalytic degradation of Eosin B based on central composite design 基于中心复合设计的Ag-NPs修饰SnO2光催化降解伊红B的研究
IF 4.2 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-09-25 DOI: 10.1016/j.apt.2025.105068
Zahra Abdollahi Joobani, S. Siamak Ashraf Talesh
The photocatalytic degradation performance of Eosin B using synthesized pure and silver nanoparticles (xAg-NPs) decorated tin dioxide (SnO2) were investigated. The synthesized nanoparticles were characterized using UV–Vis spectrophotometer, XRD, TEM, FESEM, EDS, and elemental mapping. XRD analysis confirmed that both SnO2 and Ag-SnO2 nanoparticles possess crystalline structures, with average sizes of 15 and 13 nm, respectively. TEM images revealed that the tetragonal morphology of SnO2 nanoparticles changed to spherical with Ag-NPs decoration. Furthermore, the band-gap of the particles decreased from 3.6 to 3.4 eV after decoration with Ag-NPs to SnO2. The photocatalytic process was evaluated using response surface methodology (RSM) based on central-composite design (CCD), considering four independent factors. Various operational variables, such as initial dye concentration (10–30 mg/l), pH (4–10), catalyst amount (40–200 mg), and irradiation time (60–240 min), were considered to identify the optimal conditions for the photodegradation of Eosin B. Analysis of variance (ANOVA) was applied to detect the influential factors and their significance levels. Process optimization revealed that the highest photocatalytic degradation efficiency of 100 % was obtained at an irradiation time, pH, catalyst amount, and dye concentration of 239.8 min, 6.74, 185.6 mg, and 10.0 mg/l, respectively. The degradation reactions corresponded well with first-order kinetics.
研究了合成的纯银纳米粒子(xAg-NPs)和修饰的氧化锡(SnO2)光催化降解伊红B的性能。采用紫外-可见分光光度计、XRD、TEM、FESEM、EDS和元素图对合成的纳米颗粒进行了表征。XRD分析证实,SnO2和Ag-SnO2纳米颗粒均具有晶体结构,平均尺寸分别为15 nm和13 nm。TEM图像显示,氧化锡纳米粒子的四边形形貌在Ag-NPs的修饰下变为球形。Ag-NPs修饰SnO2后,粒子的带隙从3.6 eV减小到3.4 eV。采用基于中心复合设计(CCD)的响应面法(RSM)对光催化过程进行了评价,并考虑了四个独立因素。考察了初始染料浓度(10 ~ 30 mg/l)、pH(4 ~ 10)、催化剂用量(40 ~ 200 mg)、照射时间(60 ~ 240 min)等操作变量,确定了光降解伊红b的最佳条件。工艺优化结果表明,当辐照时间为239.8 min, pH为6.74 mg,催化剂用量为185.6 mg,染料浓度为10.0 mg/l时,光催化降解效率最高,达到100%。降解反应符合一级动力学。
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引用次数: 0
Monitoring of powder flow focus in laser metal deposition: experimental and numerical analysis of gas-powder interaction mechanisms 激光金属沉积中粉末流动焦点的监测:气-粉相互作用机理的实验与数值分析
IF 4.2 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-09-25 DOI: 10.1016/j.apt.2025.105070
Pengfei Guo , Ruixi Peng , Yichen Huang , Liqun Li , Shan Gao
The powder flow focus is critical in determining the quality of Powder-based Laser Metal Deposition (LMD-p). However, systematic studies on the monitoring of powder focus remain limited. To address this, the influence of in-process parameters and the underlying physical mechanisms was comprehensively investigated by combining the optical measurement experiments and CFD-DEM two-way coupling simulations in this study. Four quantitative descriptors were introduced to describe the spatial distribution of powder focus: Powder Focus Length (PFL), Relative Focus Density (RFD), Half Max-Density Focus Diameter (HMFD), and Half Max-Density Distance (HMD). The results demonstrate that the powder focus is synergistically influenced by the Shieldgas, Carriergas and powder feeding rate. Adjusting the coaxial shielding gas can effectively regulate the focal position by about 21.4 % (2.5 mm) without affecting focus distribution. Increasing the Carriergas enhances the convergence of the powder flow and improves focus position stability. A higher powder feeding rate results in a larger HMFD and RFD of powder focus, which also provides a greater HMD for the stand-off distance from the nozzle. The influencing mechanisms of gas on powder flow dynamics were further analyzed, and the initial velocity as well as gas flow field were found to be the key factors that influence the powder flow dynamics.
粉末流焦点是决定粉末基激光金属沉积(LMD-p)质量的关键。然而,对粉末聚焦监测的系统研究仍然有限。为了解决这一问题,本研究结合光学测量实验和CFD-DEM双向耦合模拟,全面研究了过程中参数的影响及其潜在的物理机制。采用粉末聚焦长度(PFL)、相对聚焦密度(RFD)、半最大密度聚焦直径(HMFD)和半最大密度距离(HMD)四个定量描述符来描述粉末聚焦的空间分布。结果表明:气体、气体和粉末加料速率对粉末聚焦有协同影响。调节同轴保护气体可在不影响焦点分布的情况下有效调节焦点位置约21.4% (2.5 mm)。增加载流系数增强了粉末流动的收敛性,提高了焦点位置的稳定性。更高的粉末进给率导致更大的粉末焦点的HMFD和RFD,这也为与喷嘴的距离提供了更大的HMD。进一步分析了气体对粉末流动动力学的影响机理,发现初始速度和气体流场是影响粉末流动动力学的关键因素。
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引用次数: 0
Performance analysis and multi-objective optimization of spiral fin heater based on CFD-DEM 基于CFD-DEM的螺旋翅片加热器性能分析及多目标优化
IF 4.2 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-09-24 DOI: 10.1016/j.apt.2025.105065
Yi Zhang , Ling Hu , Lida Chen , Zhen Wang , Daqin Zhang , Zhongbing Li
Degassing is crucial in oil drilling, the drilling fluid needs to be heated through the heater in order to improve the efficiency of degassing. This study examines the flow characteristics of hard particles in refluxing drilling fluid in the heater spiral channel and their impact on the thermal efficiency of the heater. The effects of particle flow and size on the thermal performance of spiral heater fins were studied by numerical simulation. In addition, this research explores the use of neural networks and genetic algorithms in multi-objective optimization of spiral fin heaters. a numerical simulation using the CFD-DEM approach was performed to examine the impact of heater fin structural characteristics and drilling fluid inlet flow rate on heating performance. Secondly, to improve heat transfer and minimize pressure drop, a neural network prediction model was developed using simulation results of various parameters, followed by multi-objective optimization using evolutionary algorithms. The numerical simulation was validated by comparing the results of the spiral heater experimentally and numerically. The accuracy of the numerical simulation is confirmed by comparing the experimental results of the spiral heater with those obtained from the simulation.
脱气在石油钻井中至关重要,为了提高脱气效率,需要通过加热器对钻井液进行加热。研究了回流钻井液中硬颗粒在加热器螺旋通道中的流动特性及其对加热器热效率的影响。通过数值模拟研究了颗粒流动和颗粒尺寸对螺旋加热翅片热性能的影响。此外,本研究还探讨了神经网络和遗传算法在螺旋翅片加热器多目标优化中的应用。采用CFD-DEM方法进行了数值模拟,研究了加热器翅片结构特征和钻井液进口流量对加热性能的影响。其次,利用各参数的仿真结果,建立神经网络预测模型,利用进化算法进行多目标优化,以提高传热效率,减小压降;通过对比实验结果和数值结果,验证了数值模拟的正确性。将螺旋加热器的实验结果与模拟结果进行比较,验证了数值模拟的准确性。
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引用次数: 0
Enhancing the purity and whiteness of carbonated products from carbide slag via calcination and magnetic separation 电石渣焙烧磁选提高碳化产品纯度和白度
IF 4.2 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-09-20 DOI: 10.1016/j.apt.2025.105063
Jintao Ma , Lin Chen , Fengjie Zhang , Yadong Zhang , Chao Lv , Jinglei Cui , Xinxing Zhou , Yanxia Guo , Zihe Pan
Although the technology of fixing CO2 with carbide slag (CS) has developed rapidly, its inherent impurities severely restrict the purity and whiteness of the carbonation products, hindering their high-value utilization. This study systematically explored and revealed the occurrence states of key impurities (Al2O3, MgO, Fe2O3, SiO2, CaCO3 and elemental C) in CS. Carbon impurities reduce carbonization efficiency. Fe2O3, as a colored impurity, severely affects both the purity and whiteness of the product. To overcome this limitation, this study innovatively combined calcination and magnetic separation approaches to remove impurities. The experimental results revealed that this technology can efficiently remove carbon (removal rate of 44.7%) and iron (removal rate of 53.7%), resulting in the purity and whiteness of the carbonation products reaching 91.7% and 98.3%, respectively. Despite the challenges associated with the removal efficiency of carbon impurities and the specificity of magnetic iron impurities, our technology provides a practical and effective solution for improving the quality of CS carbonation products. This work is conducive to the resource utilization of chlor-alkali industrial waste and helps in achieving the broader goal of carbon neutrality.
电石渣固CO2技术虽然发展迅速,但其固有的杂质严重制约了碳化产物的纯度和白度,阻碍了碳化产物的高价值利用。本研究系统探索并揭示了CS中关键杂质(Al2O3、MgO、Fe2O3、SiO2、CaCO3和单质C)的赋存状态。碳杂质降低碳化效率。Fe2O3作为有色杂质,严重影响产品的纯度和白度。为了克服这一局限性,本研究创新性地结合了煅烧和磁选两种方法来去除杂质。实验结果表明,该工艺能有效去除碳(去除率44.7%)和铁(去除率53.7%),碳化产物纯度和白度分别达到91.7%和98.3%。尽管碳杂质的去除效率和磁性铁杂质的特异性存在挑战,但我们的技术为提高CS碳化产品的质量提供了实用有效的解决方案。这项工作有利于氯碱工业废弃物的资源化利用,有助于实现碳中和的更广泛目标。
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引用次数: 0
Periodic wear modelling in bulk solids screw conveying: A surface-profile-based framework validated through experiment and DEM simulation 散装固体螺旋输送中的周期性磨损建模:通过实验和DEM仿真验证的基于表面轮廓的框架
IF 4.2 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-09-19 DOI: 10.1016/j.apt.2025.105067
Weijie Yang , Yangyi Zhang , Yuan Tan
The vertical screw ship unloader plays a vital role in the transportation of bulk cargo at ports. However, severe wear of screw pipe wall remains a major challenge, often shortens its service life and increases maintenance costs. Existing models cannot accurately predict wear progression or assess its lifespan under different operating conditions. In this study, a novel predictive framework, which did not require on-site disassembly or operational interruption, was proposed to assess screw pipe wear. In the framework, the Archard wear model was integrated with the single-particle method and a continuous medium assumption. Its effectiveness was validated by both experimental results and discrete element method (DEM) simulations. With this framework, particle accumulation patterns within the screw conveyor were classified into four types. For each type, a corresponding periodic wear model was proposed and its prediction results were closer to experimental results than conventional DEM-based predictions. Parametric analysis indicated that screw rotational speed had the more significant impact on wear intensity than the filling degree of materials. Additionally, the study confirmed periodic wear along screw pipe and similar wear rates periodically occurring at intervals equal to screw pitch.
立式螺旋卸船机在港口散货运输中起着至关重要的作用。然而,螺旋管壁的严重磨损仍然是一个主要挑战,通常会缩短其使用寿命并增加维护成本。现有的模型不能准确地预测磨损进程或评估其在不同操作条件下的寿命。在这项研究中,提出了一种新的预测框架,该框架无需现场拆卸或中断操作,即可评估螺旋管磨损。在此框架下,将Archard磨损模型与单颗粒方法和连续介质假设相结合。实验结果和离散元法(DEM)仿真验证了该方法的有效性。在此框架下,将螺旋输送机内颗粒堆积模式划分为四种类型。针对每种类型,提出了相应的周期磨损模型,其预测结果比基于dem的常规预测结果更接近实验结果。参数分析表明,螺杆转速对磨损强度的影响比对物料填充程度的影响更为显著。此外,研究还证实了沿螺杆管的周期性磨损,并且类似的磨损率周期性地发生在与螺杆螺距相等的间隔上。
{"title":"Periodic wear modelling in bulk solids screw conveying: A surface-profile-based framework validated through experiment and DEM simulation","authors":"Weijie Yang ,&nbsp;Yangyi Zhang ,&nbsp;Yuan Tan","doi":"10.1016/j.apt.2025.105067","DOIUrl":"10.1016/j.apt.2025.105067","url":null,"abstract":"<div><div>The vertical screw ship unloader plays a vital role in the transportation of bulk cargo at ports. However, severe wear of screw pipe wall remains a major challenge, often shortens its service life and increases maintenance costs. Existing models cannot accurately predict wear progression or assess its lifespan under different operating conditions. In this study, a novel predictive framework, which did not require on-site disassembly or operational interruption, was proposed to assess screw pipe wear. In the framework, the Archard wear model was integrated with the single-particle method and a continuous medium assumption. Its effectiveness was validated by both experimental results and discrete element method (DEM) simulations. With this framework, particle accumulation patterns within the screw conveyor were classified into four types. For each type, a corresponding periodic wear model was proposed and its prediction results were closer to experimental results than conventional DEM-based predictions. Parametric analysis indicated that screw rotational speed had the more significant impact on wear intensity than the filling degree of materials. Additionally, the study confirmed periodic wear along screw pipe and similar wear rates periodically occurring at intervals equal to screw pitch.</div></div>","PeriodicalId":7232,"journal":{"name":"Advanced Powder Technology","volume":"36 11","pages":"Article 105067"},"PeriodicalIF":4.2,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Numerical study on the combustion characteristics and soot formation in an outwardly propagating iso-octane rich turbulent flame 向外传播的富异辛烷湍流火焰燃烧特性及烟尘形成的数值研究
IF 4.2 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-09-19 DOI: 10.1016/j.apt.2025.105057
Takashi Ikeda , Hiroaki Watanabe , Ekenechukwu Chijioke Okafor , Ryoichi Kurose , Toshiaki Kitagawa
Direct numerical simulation of a two-dimensional outwardly propagating iso-octane rich turbulent flames which was classified into Corrugated Flamelets regime in Peters diagram was conducted at an equivalence ratio of 1.4 to investigate the effects of local flame stretch rate and turbulence on soot formation and distribution with a non-unity Lewis number. Soot formation was investigated at points where the flame stretch rate was almost identical, while the contribution of curvature and flow to stretch rate differed. At all points, soot formation is remarkable at regions with negative flame stretch rate compared to regions with positive flame stretch rate. These results suggest that flame stretch rate may correlate with soot formation in turbulent flames in the Corrugated Flamelets regime. In this study, C2H2 is regarded as the precursor of soot. At regions with negative flame stretch rate, the C2H2 concentration is higher than that at regions with positive flame stretch rate. In addition, in the region where the contribution of flow field is larger than that of curvature, soot distribution is located further towards the burned side compared to the region of negative flame stretch rate. These results indicate that the effect of turbulence itself on soot distribution.
在等效比为1.4的条件下,对二维向外传播的、在Peters图中被划分为波纹Flamelets区的富异辛烷湍流火焰进行了直接数值模拟,研究了局部火焰拉伸率和湍流对非统一Lewis数下烟尘形成和分布的影响。研究了在火焰拉伸速率几乎相同,曲率和流动对拉伸速率的贡献不同的点上烟灰的形成。在所有点上,与正火焰拉伸率区域相比,负火焰拉伸率区域的烟尘形成显著。这些结果表明,火焰拉伸率可能与波纹小火焰湍流火焰中烟灰的形成有关。在本研究中,C2H2被认为是煤烟的前体。在负火焰拉伸速率区域,C2H2浓度高于正火焰拉伸速率区域。此外,在流场贡献大于曲率贡献的区域,与负火焰拉伸率区域相比,烟灰分布更靠近燃烧侧。这些结果表明湍流本身对烟尘分布的影响。
{"title":"Numerical study on the combustion characteristics and soot formation in an outwardly propagating iso-octane rich turbulent flame","authors":"Takashi Ikeda ,&nbsp;Hiroaki Watanabe ,&nbsp;Ekenechukwu Chijioke Okafor ,&nbsp;Ryoichi Kurose ,&nbsp;Toshiaki Kitagawa","doi":"10.1016/j.apt.2025.105057","DOIUrl":"10.1016/j.apt.2025.105057","url":null,"abstract":"<div><div>Direct numerical simulation of a two-dimensional outwardly propagating <em>iso</em>-octane rich turbulent flames which was classified into Corrugated Flamelets regime in Peters diagram was conducted at an equivalence ratio of 1.4 to investigate the effects of local flame stretch rate and turbulence on soot formation and distribution with a non-unity Lewis number. Soot formation was investigated at points where the flame stretch rate was almost identical, while the contribution of curvature and flow to stretch rate differed. At all points, soot formation is remarkable at regions with negative flame stretch rate compared to regions with positive flame stretch rate. These results suggest that flame stretch rate may correlate with soot formation in turbulent flames in the Corrugated Flamelets regime. In this study, C<sub>2</sub>H<sub>2</sub> is regarded as the precursor of soot. At regions with negative flame stretch rate, the C<sub>2</sub>H<sub>2</sub> concentration is higher than that at regions with positive flame stretch rate. In addition, in the region where the contribution of flow field is larger than that of curvature, soot distribution is located further towards the burned side compared to the region of negative flame stretch rate. These results indicate that the effect of turbulence itself on soot distribution.</div></div>","PeriodicalId":7232,"journal":{"name":"Advanced Powder Technology","volume":"36 11","pages":"Article 105057"},"PeriodicalIF":4.2,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Flowability, shape and structure characterization of recycled particles originating from electro discharge machining of H11 alloy H11合金电火花加工再生颗粒的流动性、形状和结构表征
IF 4.2 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-09-19 DOI: 10.1016/j.apt.2025.105064
Oliver Voigt, Thomas Buchwald, Lisa Ditscherlein, Ralf Ditscherlein, Urs Alexander Peuker
There is a need in metal powder manufacturing to provide alternative supplies because the only production method is the energy– and cost–intensive melt atomization. The aim of this study is focused on recycling of metallic particles originating from electro discharge machining. Extracted particles from accumulating erosion sludges fulfill theoretically specifications of powders regarding particle size and shape. Two fractions were analyzed via laser diffraction, image analysis and electron microscopy and compared to the benchmark H11–alloy. Bulk properties were measured and powders were investigated in a powder shear cell regarding flowability. These properties were combined with measurements of particle surface roughness in an atomic force microscope. Powders were examined by micro–computed tomography to obtain particle–discrete data. Recycled particles fulfill requirements regarding size, shape and defects. Their bulk properties align with the reference, showing improved or worsened flowability at certain stresses. Attached graphite in recycled fractions is acting simultaneously as nano–roughness and flow additive. H11 shows an expected flow behavior, and the coarse fraction the smoothest surface. Results of sphericity values cannot support findings for roughness and flowability. Pores within particles are least present for H11, hence recycled fractions have better pore performance compared to literature.
金属粉末制造需要提供替代供应,因为唯一的生产方法是能源和成本密集的熔体雾化。本研究的目的是集中在回收金属颗粒产生的电火花加工。从积累的侵蚀污泥中提取的颗粒在粒度和形状方面理论上满足粉末的要求。通过激光衍射、图像分析和电子显微镜对两组分进行了分析,并与基准h11合金进行了比较。测量了粉末的体积特性,并在粉末剪切室中研究了粉末的流动性。这些特性与原子力显微镜下粒子表面粗糙度的测量结果相结合。粉末通过微计算机断层扫描获得颗粒离散数据。回收的颗粒在尺寸、形状和缺陷方面都满足要求。它们的总体特性与参考材料一致,在一定应力下表现出改善或恶化的流动性。再生馏分中附着石墨同时起到纳米粗糙度和流动添加剂的作用。H11表现出预期的流动行为,粗组分表面最光滑。球度值的结果不能支持粗糙度和流动性的结果。H11颗粒内部孔隙最少,因此与文献相比,再生馏分具有更好的孔隙性能。
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引用次数: 0
Ignition and combustion mechanisms in Mg-Al alloys via TG-DSC and ReaxFF MD simulations 通过TG-DSC和ReaxFF MD模拟Mg-Al合金的点火和燃烧机理
IF 4.2 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-09-17 DOI: 10.1016/j.apt.2025.105062
Zhihao Jin , Guoqing Zhang , Wei Gao , Haipeng Jiang , Guoliang Li , Xiaoye Geng
Magnesium-aluminum (Mg-Al) alloys are commonly used as high-energy powder materials in solid propellants. Clarifying their ignition and combustion mechanisms is essential to guide alloy composition and particle structure design, thereby improving solid propellant combustion performance. This study utilizes TG-DSC thermal analysis and ReaxFF molecular dynamics simulations to investigate the effect of Al content and oxidation degree on chemical bonding, diffusion behavior, as well as the thermodynamic and structural properties of Mg-Al nanoparticle (MANP) in ignition and combustion. Mutual diffusion of core Mg and external oxygen atoms is critical for accelerating the ignition and combustion of MANP. During heating, the localized clustering of Al atoms enhances the outward diffusion of Mg atoms, resulting in earlier melting of core-region atoms and facilitating faster ignition of MANP. This is consistent with TG-DSC experimental results showing that the addition of Al lowers the onset temperature of the accelerated oxidation stage. MANP combustion can be divided in three stages: rapid rise, slow and stable stage. MANP with thinner oxide layers exhibit stronger diffusion intensity of core-Mg atoms and a significantly higher capacity for oxygen adsorption on the particle surface, resulting in a higher temperature rise rate and peak temperature.
镁铝合金是固体推进剂中常用的高能粉末材料。阐明它们的点火和燃烧机理对于指导合金成分和颗粒结构设计,从而提高固体推进剂的燃烧性能至关重要。本研究利用TG-DSC热分析和ReaxFF分子动力学模拟研究了Al含量和氧化程度对Mg-Al纳米颗粒(MANP)在点火和燃烧过程中的化学键合、扩散行为以及热力学和结构性能的影响。核心Mg原子与外部氧原子的相互扩散是加速MANP着火燃烧的关键。在加热过程中,Al原子的局域聚类增强了Mg原子的向外扩散,导致核心区原子更早熔化,加速了MANP的点火。这与TG-DSC实验结果一致,表明Al的加入降低了加速氧化阶段的起始温度。MANP燃烧可分为快速上升、缓慢和稳定三个阶段。氧化层越薄的MANP,其核心mg原子的扩散强度越强,颗粒表面对氧的吸附能力也越强,升温速率和峰值温度也越高。
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引用次数: 0
Optimization of graphite anode delamination and contaminant separation via electrical pulsed discharge for direct recycling 电脉冲放电直接回收石墨阳极分层及污染物分离的优化
IF 4.2 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-09-17 DOI: 10.1016/j.apt.2025.105066
Chiharu Tokoro , Masaki Horiuchi , Asako Narita , Akiko Kubota , Yutaro Takaya
This study investigated the direct recycling of graphite anode materials from spent lithium-ion batteries using electrical pulsed discharge (EPD). High-speed imaging showed that direct arc discharge into copper (Cu) foil enabled the efficient delamination of graphite through vapor bubble expansion and shock wave generation. The optimization of sample positioning and discharge pulses influences the discharge behavior, separation efficiency, and material integrity of the samples. Under optimized conditions, over 95% delamination was achieved while maintaining graphite structural integrity, confirmed by XRD, TG-DTA, Raman spectroscopy, and direct observations from optical microscopy and SEM images. ICP-OES and SEM-EDS analyses revealed iron and Cu contaminants from electrode erosion and the anode’s Cu foil. The Cu particles exhibited two morphologies: foil-like fragments from mechanical detachment and spherical particles from arc-induced melting. Post-EPD separation methods, including wet sieving, elutriation, and acid leaching, were evaluated for contaminant removal from the concentrates. Wet sieving isolated low-contamination fractions, whereas elutriation recovered high-purity graphite fractions. Acid leaching reduced the Cu concentrations, particularly in the fine fractions containing porous spherical Cu particles. The results show that the optimized EPD conditions, strategic positioning, and sequential separation processes enable the recovery of intact, high-purity graphite for the direct recycling of spent anodes.
[Keywords]
Lithium-ion batteries; Contaminant separation; Recycling; Structural integrity; Elutriation.
研究了利用脉冲放电(EPD)直接回收废旧锂离子电池中的石墨负极材料。高速成像表明,直接电弧放电到铜箔中,通过气泡膨胀和激波产生,使石墨有效地分层。样品定位和放电脉冲的优化影响着样品的放电行为、分离效率和材料完整性。通过XRD、TG-DTA、拉曼光谱以及直接观察光学显微镜和扫描电镜图像证实,在优化条件下,在保持石墨结构完整性的同时,实现了95%以上的脱层。ICP-OES和SEM-EDS分析显示电极侵蚀和阳极的铜箔中含有铁和铜污染物。铜颗粒表现出两种形态:机械分离产生的箔状碎片和电弧熔化产生的球形颗粒。后epd分离方法,包括湿筛,洗脱和酸浸,评估了从精矿中去除污染物。湿法筛分分离出低污染组分,而淋洗法回收出高纯度石墨组分。酸浸降低了铜的浓度,特别是在含有多孔球形铜颗粒的细馏分中。结果表明,优化的EPD条件、战略定位和顺序分离工艺可以回收完整的高纯度石墨,用于废阳极的直接回收。[关键词]锂离子电池;污染物分离;回收;结构完整性;淘洗。
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引用次数: 0
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