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Smart Poly(N-Isopropylacrylamide)-Based Microgels Supplemented with Nanomaterials for Catalytic Reduction Reactions—A Review 纳米材料辅助催化还原反应的智能聚n -异丙基丙烯酰胺微凝胶研究进展
Q2 ENGINEERING, CHEMICAL Pub Date : 2023-11-02 DOI: 10.3390/chemengineering7060105
Mir Waqas Alam
The continuous and irresponsible addition of environmental pollutants into aqueous reservoirs due to excessive industrialization is a significant contemporary challenge. Nanomaterial-based catalytic reduction provides an effective way to convert these materials into environmentally useful products. Responsive polymeric assemblies, complemented with nanomaterials, represent advanced nanocatalysts that are gaining interest within the scientific community. These assemblies exhibit reversible morphological transitions in response to variations induced by external factors such as temperature, pH, or electromagnetic irradiation treatment. The term hybrid microgels has been coined for assemblies that contain both nanomaterial and smart polymeric components. This review presents recent advancements in the field of hybrid microgels as nanocatalysts for conducting reduction reactions on pollutants present in aqueous media. Apart from placing detailed emphasis on the advancements documented for these assemblies, the fundamentals associated with hybrid microgels, as well as the typical catalytic reduction, are also emphasized to develop an understanding for new academicians looking to explore this field. The author hopes that this critical review of the most recent academic literature, including the years spanning 2020 to 2023, will serve as a tutorial for the identification of research gaps in this field, along with its prospective solutions.
由于过度工业化,环境污染物不断和不负责任地添加到含水水库中是当代的重大挑战。基于纳米材料的催化还原为将这些材料转化为对环境有用的产品提供了有效的途径。反应性聚合物组件与纳米材料相辅相成,代表了科学界越来越感兴趣的先进纳米催化剂。这些组件表现出可逆的形态转变,以响应外部因素,如温度,pH值或电磁辐照处理引起的变化。混合微凝胶这个术语是指同时包含纳米材料和智能聚合物组分的组装物。本文综述了杂化微凝胶作为纳米催化剂对水中污染物进行还原反应的研究进展。除了详细强调这些组件的进展外,还强调了与混合微凝胶相关的基本原理,以及典型的催化还原,以便为希望探索该领域的新院士提供理解。作者希望这篇对最新学术文献(包括2020年至2023年)的批判性综述,将作为识别该领域研究差距的指南,以及其前瞻性的解决方案。
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引用次数: 0
Study of the Effect of Adding Nb2O5 on Calcium Titanate-Based Ferroelectric Ceramics 添加Nb2O5对钛酸钙基铁电陶瓷的影响研究
Q2 ENGINEERING, CHEMICAL Pub Date : 2023-11-01 DOI: 10.3390/chemengineering7060103
Maxim V. Zdorovets, Gulnaz Zh. Moldabayeva, Inesh Z. Zhumatayeva, Daryn B. Borgekov, Rafael I. Shakirzyanov, Artem L. Kozlovskiy
This paper considers the effect of adding niobium oxide (Nb2O5) to ferroelectric ceramics based on calcium titanate (CaTiO3), and establishes a connection between the observed alterations in strength and dielectric properties and the variation in the Nb2O5 dopant concentration in the ceramics’ composition. The method of mechanochemical solid-phase synthesis was used as the main method for obtaining the ceramics, followed by thermal sintering under specified conditions in order to form a stable phase composition of the ceramics, and to initialize phase transformations in the composition. Based on the assessment of the phase composition of the resulting ceramics, it was determined that a growth in the Nb2O5 dopant concentration beyond 0.10 mol results in the formation of an orthorhombic-phase CaNb2O4 of the Pbcm(57) spatial system, the weight contribution of which grows. A growth in the Nb2O5 additive concentration results in the formation of two-phase ceramics, the formation of which allows for an enhancement in the mechanical strength of ceramics and resistance to external influences. During the study of the dependence of the strength properties on the dopant concentration alteration, a three-stage change in hardness and crack resistance was established, regarding both structural ordering and phase transformations. The measurement of dielectric characteristics showed the direct dependence of dielectric losses and the dielectric constant on the phase composition of ceramics.
本文考虑了在钛酸钙(CaTiO3)基铁电陶瓷中添加氧化铌(Nb2O5)的影响,并将所观察到的强度和介电性能的变化与陶瓷成分中Nb2O5掺杂浓度的变化联系起来。制备陶瓷的主要方法是机械化学固相合成法,然后在规定的条件下进行热烧结,形成稳定的陶瓷相组成,并在组成中初始化相变。通过对所得陶瓷相组成的评价,确定Nb2O5掺杂浓度大于0.10 mol时,Pbcm(57)空间体系的正交相CaNb2O4形成,其重量贡献增大。Nb2O5添加剂浓度的增加导致两相陶瓷的形成,两相陶瓷的形成可以增强陶瓷的机械强度和抗外界影响的能力。在研究掺杂浓度变化对强度性能的影响时,建立了硬度和抗裂性能在结构有序和相变方面的三个阶段变化。介质特性的测量表明,介质损耗和介电常数与陶瓷的相组成有直接关系。
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引用次数: 0
A Themed Issue in Honor of Prof. Dr. Vicente Rives 纪念维森特·里夫斯博士的主题特刊
Q2 ENGINEERING, CHEMICAL Pub Date : 2023-10-31 DOI: 10.3390/chemengineering7060102
Miguel Angel Vicente, Raquel Trujillano, Francisco M. Labajos
Professor Vicente Rives developed a very long and fruitful career as a teacher of Inorganic Chemistry and Materials Chemistry and has been a dedicated researcher in these and related fields [...]
维森特·里夫斯教授作为无机化学和材料化学的教师,有着漫长而富有成果的职业生涯,并一直致力于这些领域和相关领域的研究[…]
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引用次数: 0
Numerical Analysis of Gas Hold-Up of Two-Phase Ebullated Bed Reactor 两相沸腾床反应器气含率的数值分析
Q2 ENGINEERING, CHEMICAL Pub Date : 2023-10-20 DOI: 10.3390/chemengineering7050101
Riyadh S. Almukhtar, Ali Amer Yahya, Omar S. Mahdy, Hasan Shakir Majdi, Gaidaa S. Mahdi, Asawer A. Alwasiti, Zainab Y. Shnain, Majid Mohammadi, Adnan A. AbdulRazak, Peter Philib, Jamal M. Ali, Haydar A. S. Aljaafari, Sajda S. Alsaedi
Due to the significant increase in heavy feedstocks being transported to refineries and the hydrocracking process, the significance of adopting an ebullated bed reactor has been reemphasized in recent years. The predictive modelling of gas hold-up in an ebullated two-phase reactor was performed using 10 machine learning methods based on support vector machine (SVM) and Gaussian process regression (GPR) in this study. In an ebullated bed reactor, the impacts of three features, namely liquid velocity, gas velocity, and recycling ratio, on the gas hold-up were examined. The liquid velocity has the most impact on the predicted gas hold-up, according to the feature significance analysis. The rotational-quadratic, squared-exponential, Matern 5/2, and exponential kernel functions integrated with the GPR models and the linear, quadratic, cubic, fine, medium, and coarse kernel functions integrated with the SVM model performed well during training and testing, with the exception of the fine SVM model, whose R2 is very low. According to the R2 > 0.9 and low RMSE and MAE values, the rotational-quadratic, squared-exponential, and Matern 5/2 GPR models performed the best.
由于输送到炼油厂和加氢裂化过程的重质原料的显著增加,近年来采用膨胀床反应器的重要性再次得到强调。采用基于支持向量机(SVM)和高斯过程回归(GPR)的10种机器学习方法对气相反应器气含率进行了预测建模。在膨胀床反应器中,考察了液速、气速和再循环比三个特征对气含率的影响。根据特征显著性分析,液速对预测含气率影响最大。与GPR模型集成的旋转二次核函数、平方指数核函数、Matern 5/2核函数和指数核函数以及与SVM模型集成的线性核函数、二次核函数、三次核函数、精细核函数、中核函数和粗核函数在训练和测试中都表现良好,但精细核函数的R2很低。根据R2 >0.9和低RMSE和MAE值时,旋转二次型、平方指数型和Matern 5/2型GPR模型表现最好。
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引用次数: 0
Adaptive Mesh Refinement Strategies for Cost-Effective Eddy-Resolving Transient Simulations of Spray Dryers 喷雾干燥机涡流解析瞬态仿真的自适应网格细化策略
Q2 ENGINEERING, CHEMICAL Pub Date : 2023-10-18 DOI: 10.3390/chemengineering7050100
Jairo Andrés Gutiérrez Suárez, Carlos Humberto Galeano Urueña, Alexánder Gómez Mejía
The use of adaptive meshing strategies to perform cost-effective transient simulations of spray drying processes is evaluated. These simulations are often computationally expensive, given the large differences between the characteristic times of the central jet and those of the unsteady flow developed at its periphery. Managing the computational cost through the control of the grid resolution by regions is inadequate in many of these applications since the grid resolution requirements change dynamically within the domain. These conditions are related to the unsteady nature of the flow in both the central jet and the flow recirculation zones. Therefore, the application of adaptive mesh refinement (AMR) strategies is recommended. In this paper, general AMR criteria based on relative errors are evaluated by testing three mesh adaptation criteria: velocity gradient, pressure gradient, and vorticity. This evaluation is performed using a low-cost turbulence model with eddy resolution (DDES) in two different types of drying chambers, in which experimental measurements are available. The use of AMR exerts appreciable effects on decreasing computational costs and contributes to the capture of large eddies in critical regions. The present approach provides an appropriate balance between solution accuracy and computational cost. By using a correct AMR configuration, it is possible to obtain results similar to those obtained on a fixed grid but reducing the computational costs by 3 to 5 times.
使用自适应网格策略来执行具有成本效益的喷雾干燥过程的瞬态模拟进行了评估。考虑到中心射流的特征时间与外围发展的非定常流的特征时间之间的巨大差异,这些模拟通常在计算上是昂贵的。由于网格分辨率需求在域内是动态变化的,因此在许多此类应用中,通过按区域控制网格分辨率来管理计算成本是不够的。这些条件与中心射流和回流区流动的非定常性有关。因此,建议采用自适应网格细化(AMR)策略。本文通过测试速度梯度、压力梯度和涡度三个网格自适应准则,对基于相对误差的通用AMR准则进行了评价。该评估是在两种不同类型的干燥室中使用具有涡流分辨率(DDES)的低成本湍流模型进行的,其中可以进行实验测量。AMR的使用对降低计算成本和捕获关键区域的大涡流有明显的影响。本方法在求解精度和计算成本之间取得了适当的平衡。通过使用正确的AMR配置,可以获得与固定网格相似的结果,但可以将计算成本降低3到5倍。
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引用次数: 0
Antisolvent Effects of C1–C4 Primary Alcohols on Solid-Liquid Equilibria of Potassium Dihydrogen Phosphate in Aqueous Solutions C1-C4伯醇对磷酸二氢钾固液平衡的抗溶剂影响
Q2 ENGINEERING, CHEMICAL Pub Date : 2023-10-17 DOI: 10.3390/chemengineering7050099
Tam Minh Le, Tan Dzung Nguyen, Giang Tien Nguyen, Nhung Thi Tran
The focus of this study was to examine antisolvent effects, which hold significance in particulate processes, such as crystallization and precipitation. In the first section, an experimental investigation revealed that C1–C4 primary alcohols significantly reduced the solubility of potassium dihydrogen phosphate (KDP) in water. The solid–liquid equilibria of KDP solutions were determined using an innovative polythermal method, demonstrating time and labor efficiency compared to the traditional isothermal method while maintaining solubility determination quality. This achievement established an efficient tool for high-throughput solvent screening, a crucial aspect of particulate process development. In addition to the experimental approach, in the second part, the influence of these alcohols on KDP solubility was analyzed using the eNRTL thermodynamics model. The model’s estimated parameters confirmed that the addition of these alcohols induced strong non-ideal behavior in the solutions, altered interactions between solute species and solvent components, and reduced KDP solubility. Under the effects of these alcohols, KDP solubility generally increased with the length of the alkyl chain in the added alcohols, although methanol deviated from this observation. Furthermore, the present work also discussed the limitation of the well-known Bromley’s equation, particularly when applied for KDP in alcohol–water mixed solvents. Consequently, binary and ternary systems consisting of KDP, water, and C1–C4 primary alcohols were successfully modeled using eNRTL. Furthermore, it was determined that the obtained model was insufficient for quaternary systems with a higher alcohol content, particularly when high-order interactions were neglected as in the cases of binary and ternary systems. In short, these investigated alcohols have potential for future applications in the design of particulate processes, with a particular emphasis on antisolvent crystallization.
本研究的重点是研究抗溶剂效应,这在颗粒过程中具有重要意义,如结晶和沉淀。在第一部分中,实验研究表明C1-C4伯醇显著降低了磷酸二氢钾(KDP)在水中的溶解度。采用创新的多热法测定了KDP溶液的固液平衡,与传统的等温法相比,在保持溶解度测定质量的同时,节省了时间和劳动效率。这一成就为高通量溶剂筛选建立了一个有效的工具,这是颗粒工艺发展的一个关键方面。除实验方法外,第二部分采用eNRTL热力学模型分析了这些醇类对KDP溶解度的影响。该模型的估计参数证实,这些醇的加入在溶液中引起了强烈的非理想行为,改变了溶质种类和溶剂组分之间的相互作用,降低了KDP的溶解度。在这些醇的作用下,KDP的溶解度一般随着添加醇中烷基链的长度而增加,尽管甲醇偏离了这一观察结果。此外,本工作还讨论了众所周知的布罗姆利方程的局限性,特别是当应用于酒精-水混合溶剂中的KDP时。因此,使用eNRTL成功地模拟了由KDP、水和C1-C4伯醇组成的二元和三元体系。此外,确定所获得的模型对于具有较高醇含量的四元体系是不够的,特别是在二元和三元体系中忽略高阶相互作用的情况下。简而言之,这些研究的醇具有未来在颗粒工艺设计中的应用潜力,特别强调抗溶剂结晶。
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引用次数: 0
Fabrication and Characterization of Poly(lactic acid)-Based Biopolymer for Surgical Sutures 外科缝合线用聚乳酸生物聚合物的制备与表征
Q2 ENGINEERING, CHEMICAL Pub Date : 2023-10-13 DOI: 10.3390/chemengineering7050098
Zaid Abdulhamid Alhulaybi
Medical sutures are important surgical aids for promoting wound closure and establishing the ideal environment for wound healing. Several key factors must be considered in medical sutures, including the material of choice for the wound closure, the type of injury (internal or external), the mechanical support required to sustain the closure, the causes of infection, and the suture’s thickness and absorbability. Therefore, this study focuses on producing absorbable surgical sutures from a bio-compatible polymer material called polylactic acid (PLA) along with a PLA–chitosan composite suture initially using the extrusion method followed by the stretching method. The experimental results showed that the PLA suture can be successfully produced and coated with chitosan. The resulting suture elongated up to 148% with an achieved crystallinity of 27%, along with a superior surgical tying and knotting quality. The average thickness of the PLA sutures and PLA sutures coated with chitosan were found to be 0.33 mm and 0.58 mm, respectively. The efficient biocompatibility and wound healing/closure of the sutures were practically deep-rooted using a human skin simulator and rat animal tissue. Based on the degradation study, the manufactured suture in this study proved its degradability in physiological saline water. After a period of 15 days, the sutures lost 50% of their weight and the pH decreased from 6.49 to 4.42.
医用缝合线是促进创面愈合和建立理想创面愈合环境的重要手术辅助工具。医学缝合必须考虑几个关键因素,包括伤口闭合的材料选择、损伤类型(内部或外部)、维持闭合所需的机械支撑、感染的原因以及缝合线的厚度和可吸收性。因此,本研究的重点是用生物相容性高分子材料聚乳酸(PLA)和PLA -壳聚糖复合缝合线制作可吸收的手术缝合线,最初采用挤压法,然后采用拉伸法。实验结果表明,可以成功制备聚乳酸缝线并包覆壳聚糖。所得缝线延长达148%,结晶度达到27%,具有优越的手术捆扎和打结质量。聚乳酸缝线和壳聚糖包覆聚乳酸缝线的平均厚度分别为0.33 mm和0.58 mm。使用人体皮肤模拟器和大鼠动物组织,有效的生物相容性和伤口愈合/缝合实际上是根深蒂固的。在降解研究的基础上,本研究证明了其在生理盐水中的可降解性。15天后,缝合线的重量减轻了50%,pH从6.49下降到4.42。
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引用次数: 0
Role of Stearic Acid as the Crystal Habit Modifier in Candelilla Wax-Groundnut Oil Oleogels 硬脂酸在小蜡烛蜡-花生油油凝胶中的晶体习性调节剂作用
Q2 ENGINEERING, CHEMICAL Pub Date : 2023-10-12 DOI: 10.3390/chemengineering7050096
Diksha Chaturvedi, Deepti Bharti, Somali Dhal, Deblu Sahu, Haladhar Behera, Minaketan Sahoo, Doman Kim, Maciej Jarzębski, Arfat Anis, Biswaranjan Mohanty, Sai S. Sagiri, Kunal Pal
This study investigated the effects of incorporating stearic acid (SAC) in candelilla wax (CW) and groundnut oil (GO) oleogel with potential health benefits as an alternative to saturated fats in processed foods. Results showed that SAC possesses crystal habit-modifying properties on the oleogels, causing its average crystallite size to increase, as observed through polarized light microscopy and XRD analysis. Additionally, SAC caused an increase in ordering within the crystallite network as a result of the decrease in d-spacing. Interestingly, the firmness of the oleogels remained unaffected, even at a higher fraction of SAC. It is believed to be due to the interference caused by the crystallization of high-melting SAC within the fine crystal network of CW-GO oleogel. However, adding 3 mg of SAC significantly increased the work of the shear of the oleogel (SAC3), which decreased the spreadability. As observed through colorimetric analysis, SAC3 showed a dense and uniform distribution of prominent bright crystals with minimal amorphous regions, leading to a high whiteness index. SAC3 also demonstrated the highest compactness and dislocation density among the oleogels, likely due to the formation of prominent crystals. However, SAC did not affect the overall oleogel crystallization rate. SAC3 had delayed secondary crystallization and thermal equilibrium by having a prolonged crystallization time of CW crystals. In the case of controlled delivery studies, the addition of SAC improved CPCR. On the other hand, CPCR decreased with the increase in SAC amount, where SAC3 showed a moderate curcumin release ability among the oleogels.
本研究探讨了将硬脂酸(SAC)掺入candelilla wax (CW)和花生油(GO)油凝胶中作为加工食品中饱和脂肪的替代品的潜在健康益处。结果表明,通过偏振光显微镜和XRD分析,SAC对油凝胶具有晶体习惯改变的特性,使其平均晶粒尺寸增大。此外,由于d-间距的减小,SAC引起了晶体网络内部有序度的增加。有趣的是,即使在SAC的较高分数下,油凝胶的坚固性仍未受到影响。这被认为是由于高熔点SAC在CW-GO油凝胶的细晶网络内结晶造成的干扰。然而,添加3mg的SAC显著增加了油凝胶(SAC3)的剪切功,从而降低了涂油性能。通过比色分析,SAC3呈现出密集均匀的突出亮晶分布,无定形区极少,白度指数较高。SAC3在油凝胶中也表现出最高的致密性和位错密度,可能是由于形成了突出的晶体。然而,SAC对整体油凝胶结晶速率没有影响。SAC3通过延长连续波晶体的结晶时间,延缓了二次结晶和热平衡。在对照分娩研究中,添加SAC可改善CPCR。另一方面,CPCR随SAC用量的增加而降低,其中SAC3在油凝胶中表现出适度的姜黄素释放能力。
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引用次数: 0
Energy-Intensive Materials with Mechanically Activated Components 具有机械活化成分的能源密集型材料
Q2 ENGINEERING, CHEMICAL Pub Date : 2023-10-12 DOI: 10.3390/chemengineering7050097
Bakkara Ayagoz, Sadykov Bakhtiyar, Artykbaeva Aida, Kamunur Kaster, Batkal Aisulu, Kalmuratova Bakhyt
The production and study of highly dispersed aluminum-based powders represents one of contemporary science’s priority fields. This is primarily driven by the practical necessity to develop new materials, a feat that, in some cases, can only be achieved through the utilization of powdered components. This article presents the results of the mechanochemical treatment method employed to obtain highly reactive aluminum particles. It also includes a comparative analysis of aluminum particles generated through various methods and their respective properties. Furthermore, the application of these highly reactive aluminum particles in energy-intensive materials is discussed.
高度分散的铝基粉末的生产和研究是当代科学的优先领域之一。这主要是由于开发新材料的实际需要,在某些情况下,这一壮举只能通过使用粉末状成分来实现。本文介绍了采用机械化学处理方法获得高活性铝颗粒的结果。还包括通过各种方法生成的铝颗粒及其各自性能的比较分析。此外,还讨论了这些高活性铝颗粒在高耗能材料中的应用。
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引用次数: 0
Synthesis and Research of Critical Parameters of Bi-HTSC Ceramics Based on Glass Phase Obtained by IR Heating 红外加热玻璃相Bi-HTSC陶瓷关键参数的合成与研究
Q2 ENGINEERING, CHEMICAL Pub Date : 2023-10-10 DOI: 10.3390/chemengineering7050095
Daniyar Uskenbaev, Adolf Nogai, Alisher Uskenbayev, Kairatbek Zhetpisbayev, Eleonora Nogai, Pavel Dunayev, Ainur Zhetpisbayeva, Artur Nogai
In this paper influence of the excess Ca and Cu cations on the critical temperature (Tc) and critical transport current density (Jc) of high-temperature superconducting ceramics of the compositions (HTSC) Bi1.6Pb0.4Sr2Ca2.1Cu3.1Oy, Bi1.6Pb0.4Sr2Ca2.25Cu3.25Oy and Bi1.6Pb0.4Sr2Ca3Cu4Oy synthesized by the glass-ceramic method has been studied. The synthesis of superconducting ceramics was carried out on the basis of the glass phase, obtained by ultra-fast quenching of the melt. Melting of the mixture of starting components was carried out without the use of a crucible under the influence of IR radiant heating. Analysis of the elemental composition of the samples of the initial precursors showed a significant deviation from stoichiometry in oxygen (increase), as well as a decrease in calcium content. The synthesis of HTSC ceramics was carried out at a temperature of 849–850 °C for 96 h with intermediate grinding every 24 h. Studies of the phase composition of ceramic samples by X-ray diffraction have shown that HTSC ceramics consist only of a superconducting high-temperature phase Bi-2223. Studies of current-carrying characteristics by the four-point probe method according to the criterion of 1 µV/cm2 have shown that high-temperature superconducting ceramics of the compositions Bi1.6Pb0.4Sr2Ca2.1Cu3.1Oy, Bi1.6Pb0.4Sr2Ca2.25Cu3.25Oy and Bi1.6Pb0.4Sr2Ca3Cu4Oy have an increased density of critical transport current of 9.12 A/cm2, 7.62 A/cm2 and 7.26 A/cm2, respectively. At the same time, it was found that with a decrease in the content of Ca and Cu cations in HTSC ceramics, an increase in the critical current density is observed.
本文研究了过量Ca和Cu阳离子对高温超导陶瓷(HTSC) bi1.6 pb0.4 sr2ca2.1 cu3.10 oy、Bi1.6Pb0.4Sr2Ca2.25Cu3.25Oy和Bi1.6Pb0.4Sr2Ca3Cu4Oy合成的临界温度(Tc)和临界输运电流密度(Jc)的影响。超导陶瓷的合成是在玻璃相的基础上进行的,该玻璃相是通过对熔体进行超快淬火得到的。在红外辐射加热的影响下,在没有坩埚的情况下进行了起始组分混合物的熔化。对初始前体样品的元素组成分析表明,氧的化学计量有明显的偏差(增加),钙的含量也有所减少。HTSC陶瓷的合成在849 ~ 850℃的温度下进行了96 h的合成,每24 h进行一次中间研磨。通过x射线衍射对陶瓷样品的相组成进行了研究,表明HTSC陶瓷仅由超导高温相Bi-2223组成。以1µV/cm2为标准,用四点探针法研究了高温超导陶瓷的载流特性,结果表明,bi1.6 pb0.4 sr2ca2.1 cu3.10 oy、Bi1.6Pb0.4Sr2Ca2.25Cu3.25Oy和Bi1.6Pb0.4Sr2Ca3Cu4Oy组成的高温超导陶瓷的临界输运电流密度分别提高了9.12、7.62和7.26 A/cm2。同时发现,随着HTSC陶瓷中Ca、Cu阳离子含量的降低,临界电流密度增大。
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引用次数: 0
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