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Investigation of chemical network, electronic environments and electrochemical performance of Fe3O4/ZnO/rGO nanocomposites 研究 Fe3O4/ZnO/rGO 纳米复合材料的化学网络、电子环境和电化学性能
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-23 DOI: 10.1007/s12034-024-03353-7
Sumitra Dutta, Aishwarya Madhuri, Sanketa Jena, Bibhu P Swain

The present study synthesized reduced graphene oxide-reinforced iron oxide and zinc oxide (Fe3O4/ZnO/rGO) nanocomposites with varying ZnO content using a facile chemical reduction method for energy storage application. The scanning electron microscope reveals that the grain size of Fe3O4/ZnO/rGO varied between 8 and 17.09 µm on the surface of the graphene sheet. The (101) and (102) planes were at 36.42 and 47.03°, respectively, confirming the ZnO wurtzite hexagonal structure. The crystallite size and lattice strain varied from 14.18 to 19.37 nm and 0.0018 to 0.0093, respectively, estimated from the Williamson–Hall plot with 60, 70, and 80 wt.% ZnO content. X-ray photoelectron spectroscopy (XPS) confirmed that the Fe and Zn contents varied from 21.5 to 24.48 at.% and 37.93 to 40.65 at.%, respectively. The C1s core orbital binding energy indicated the presence of C-Zn, C-Fe, and C-O-/C=O functional groups. Dominance of s-orbital in the valence band is observed in all Fe3O4/ZnO/rGO nanocomposites, and p-orbital is dominant in the valence band of pure rGO. The structural defect study in Raman shows that the defect parameter (ID/IG) varied from 0.28 to 0.38 with 60, 70, and 80 wt.% ZnO content, indicating an increase in defects with increasing 60 to 80 wt.% ZnO content in Fe3O4/ZnO/rGO network. The cyclic voltammetry showed that the specific capacitances for 70 and 80 wt.% ZnO content is 550 and 645 F g−1, respectively, and for ZnO/rGO is 641 F g−1 at 10 mV s−1 scan rate, which indicates that the specific capacitance increases with the increase in ZnO.

本研究采用简便的化学还原法合成了不同氧化锌含量的还原氧化石墨烯增强氧化铁和氧化锌(Fe3O4/ZnO/rGO)纳米复合材料,用于储能应用。扫描电子显微镜显示,石墨烯片表面的 Fe3O4/ZnO/rGO 晶粒大小在 8 到 17.09 µm 之间。(101)和(102)平面分别为 36.42 和 47.03°,证实了氧化锌的钨六方结构。根据威廉森-霍尔曲线图估算,氧化锌含量为 60、70 和 80 wt.% 时,晶粒大小和晶格应变分别为 14.18 至 19.37 nm 和 0.0018 至 0.0093。X 射线光电子能谱 (XPS) 证实,铁和锌的含量分别为 21.5 至 24.48%和 37.93 至 40.65%。C1s 核心轨道结合能表明存在 C-Zn、C-Fe 和 C-O-/C=O 官能团。在所有的 Fe3O4/ZnO/rGO 纳米复合材料中都观察到价带中的 s-轨道占主导地位,而纯 rGO 的价带中 p-轨道占主导地位。拉曼中的结构缺陷研究表明,在氧化锌含量为 60、70 和 80 wt.% 时,缺陷参数(ID/IG)在 0.28 至 0.38 之间变化,这表明随着氧化锌含量在 Fe3O4/ZnO/rGO 网络中从 60 wt.% 到 80 wt.% 的增加,缺陷也在增加。循环伏安法显示,在 10 mV s-1 扫描速率下,氧化锌含量为 70 和 80 wt.% 时的比电容分别为 550 和 645 F g-1,氧化锌/rGO 的比电容为 641 F g-1,这表明比电容随着氧化锌含量的增加而增加。
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引用次数: 0
Ti/TiO2 nanoneedles/AgBr heterojunction architecture as antifouling surfaces 作为防污表面的 Ti/TiO2 纳米针/AgBr 异质结结构
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-23 DOI: 10.1007/s12034-024-03328-8
Ananya Bose, Ramakrishnan Ganesan, Jayati Ray Dutta

Metallic surfaces endowed with antifouling characteristics are crucial in biomedical devices, frequently-contacted surfaces, food and cosmetic packaging, etc. Here, flexible Ti foil has been employed to grow TiO2 nanoneedles, known for their exceptional properties, using a modified hydrothermal synthesis method. The established hydrothermal synthesis of TiO2 nanoneedles employs concentrated HCl solution that completely digests the Ti foil. In the present study, concentration of HCl was lowered systematically to unearth the optimal conditions for obtaining hydrothermally grown TiO2 nanoneedles. To make the surfaces antifouling under dark–light dual-mode conditions, deposition of varying loadings of photosensitizing AgBr was made. These nanostructures were characterized using field emission scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy and UV diffuse reflectance spectroscopy, respectively. Antibacterial efficacy of TiO2/AgBr heterojunctions was evaluated under both dark and visible light conditions against two representative gram-negative bacteria, Pseudomonas fluorescens and Escherichia coli DH5-α. Notably, TiO2 nanostructures coated with 50 mg ml−1 of the AgBr precursor achieved complete bacterial clearance for P. fluorescens within 180–240 min in the dark, while a comparable activity was observed within 90–120 min under light conditions. In the case of E. coli DH5-α, even a lesser loading of 30 mg ml−1 was more effective. The crystal violet assay employing biofilm-forming P. fluorescens showed increased biofilm inhibition with higher AgBr loadings. The findings of this study highlight the multifunctional potential of the AgBr-loaded TiO2 nanostructure as a dual-mode antibacterial coating on metallic surfaces.

在生物医学设备、频繁接触表面、食品和化妆品包装等领域,具有防污特性的金属表面至关重要。在此,我们采用改良的水热合成法,利用柔性钛箔生长出具有特殊性能的二氧化钛纳米针。现有的水热法合成 TiO2 纳米针使用的是浓盐酸溶液,这种溶液会完全消化钛箔。在本研究中,通过系统地降低盐酸浓度,找到了获得水热法生长的二氧化钛纳米针的最佳条件。为了使表面在暗光双模条件下防污,还沉积了不同含量的光敏 AgBr。分别使用场发射扫描电子显微镜、X 射线衍射、X 射线光电子能谱和紫外漫反射光谱对这些纳米结构进行了表征。在黑暗和可见光条件下,评估了 TiO2/AgBr 异质结对两种代表性革兰氏阴性菌(荧光假单胞菌和大肠杆菌 DH5-α)的抗菌效果。值得注意的是,涂有 50 mg ml-1 AgBr 前体的二氧化钛纳米结构在黑暗条件下 180-240 分钟内就能完全清除荧光假单胞菌的细菌,而在光照条件下 90-120 分钟内就能观察到类似的活性。对于大肠杆菌 DH5-α,即使较少的负载量(30 毫克毫升/升)也更有效。利用形成生物膜的 P. fluorescens 进行的水晶紫检测显示,AgBr 用量越高,对生物膜的抑制作用越强。本研究的结果凸显了 AgBr 负载 TiO2 纳米结构作为金属表面双模抗菌涂层的多功能潜力。
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引用次数: 0
Evaluation of different expansion processes for poly(ethylene-co-vinyl acetate) foam-reinforced with micronized graphite 评估用微粉石墨增强聚(乙烯-醋酸乙烯)泡沫的不同膨胀工艺
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-23 DOI: 10.1007/s12034-024-03341-x
Bruna Rossi Fenner, Matheus Vinicius Gregory Zimmermann, Eduardo Junca, Marina Kauling de Almeida, Lara Vasconcellos Ponsoni, Ademir José Zattera, Ruth Marlene Campomanes Santana

Poly(ethylene-co-vinyl acetate) is used in numerous industries due to its versatility and increasing development of reinforced foams with a variety of fillers as well as the method of expansion, impacting the properties of foams. By varying the type and content of the incorporated filler as well as the expansion method, it is possible to obtain different cell morphologies even with low filler content in the polymer matrix. On this basis, this study reports the development of EVA foams reinforced with small amounts of micronized graphite and expanded by two expansion methods, namely thermocompression with chemical blowing agents (CBA) and expansion in an autoclave with CO2 in supercritical state as physical blowing agent (PBA). The main results show that the presence of a small amount of graphite reduces the density of foam, significantly increases the size of cells, and consequently, reduces the number of cells per unit area. The CBA foams had a lower density than PBA foams; however, the PBA foams exhibited a more homogeneous morphological structure.

Graphical abstract

聚(乙烯-醋酸乙烯酯)因其多功能性而被广泛应用于众多行业,使用各种填料和膨胀方法的增强泡沫的开发也在不断增加,这对泡沫的性能产生了影响。通过改变加入填料的类型和含量以及膨胀方法,即使聚合物基体中的填料含量较低,也能获得不同的细胞形态。在此基础上,本研究报告了使用少量微粉化石墨增强 EVA 泡沫并通过两种膨胀方法(即使用化学发泡剂的热压法(CBA)和使用超临界二氧化碳作为物理发泡剂的高压釜膨胀法(PBA))进行膨胀的发展情况。主要结果表明,少量石墨的存在会降低泡沫的密度,显著增大泡孔的尺寸,从而减少单位面积上的泡孔数量。CBA 泡沫的密度低于 PBA 泡沫,但 PBA 泡沫的形态结构更为均匀。
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引用次数: 0
Microwave-assisted synthesis of graphene oxide–cobalt ferrite magnetic nanocomposite for water remediation 微波辅助合成用于水处理的氧化石墨烯-钴铁氧体磁性纳米复合材料
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-20 DOI: 10.1007/s12034-024-03323-z
G S AMGITH, NIDHI PATHAK, RITU KUMARI PILANIA, MUKESH RANJAN, CHARU LATA DUBE

Graphene oxide–cobalt ferrite magnetic nanocomposite (M-GOC) was efficiently synthesised by microwave-assisted method for water remediation. The graphene oxide (GO) was synthesized by improved Hummers’ method, while cobalt ferrite (CoFe2O4) was synthesized by microwave-assisted combustion method. X-ray diffractograms indicated high phase-pure M-GOC with an average crystallite size of 18.5 nm. An enhancement in the absorbance was observed in the range of 220–280 nm due to the presence of additional π–π* transition of aromatic C–C bonds of GO. Appearance of a peak around 584 cm−1 corresponds to the stretching vibration of Co–O bond. Corrugated GO sheets were observed in SEM and HRTEM images with agglomerated spherical CoFe2O4 nanoparticles intercalated between the GO sheets. A particle size distribution curve was plotted that indicated an average particle size of ~11 nm of the CoFe2O4 nanoparticles. Raman spectra of GO confirmed the synthesis of pure GO sheets. Vibrating sample magnetometer was employed to investigate the magnetic behaviour of M-GOC, which showed a Mr/Ms ratio of 0.278. The adsorption study was performed, in which M-GOC nanocomposite exhibited an excellent adsorption capacity of 2229.9 mg g−1 for heavy metal i.e., cadmium ions (Cd+2).

利用微波辅助法高效合成了氧化石墨烯-钴铁氧体磁性纳米复合材料(M-GOC),用于水质修复。氧化石墨烯(GO)是用改进的 Hummers 法合成的,而钴铁氧体(CoFe2O4)则是用微波辅助燃烧法合成的。X 射线衍射图显示,M-GOC 具有较高的相纯度,平均结晶尺寸为 18.5 nm。由于 GO 的芳香族 C-C 键存在额外的 π-π* 转变,在 220-280 纳米范围内观察到吸光度增强。584 cm-1 附近出现的峰值对应于 Co-O 键的伸缩振动。在 SEM 和 HRTEM 图像中可以观察到波纹状的 GO 片,GO 片之间夹杂着团聚的球形 CoFe2O4 纳米粒子。绘制的粒度分布曲线显示,CoFe2O4 纳米粒子的平均粒度约为 11 纳米。GO 的拉曼光谱证实了纯 GO 片的合成。使用振动样品磁力计研究了 M-GOC 的磁性,结果显示其 Mr/Ms 比值为 0.278。在吸附研究中,M-GOC 纳米复合材料对重金属镉离子(Cd+2)的吸附能力高达 2229.9 mg g-1。
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引用次数: 0
Structure and properties of RE2HE2O7 thermal barrier ceramics designed with high-entropy at different sites 在不同部位设计高熵的 RE2HE2O7 隔热陶瓷的结构和性能
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-20 DOI: 10.1007/s12034-024-03331-z
Xing Wei, Yang Ma, Feiyang Hong, Xuanwei Dong, Yanmi Wu, Xiaobing Zhao

Yttria-stabilised zirconia is used as a thermal barrier coating material and is widely applied in the thermal protection field. However, its tendency to undergo phase transformation at high temperatures poses a significant challenge to the durability of these coatings. An alternative material with superior high-temperature phase stability and a high coefficient of thermal expansion is thus desirable. Rare earth zirconate, such as Gadolinium zirconate (Gd2Zr2O7), has emerged as a promising candidate due to its inherent properties. High-entropy ceramics have attracted much attention due to their excellent properties. Leveraging the design principles of high-entropy systems, the structural configuration of Gd2Zr2O7 has been optimised to enhance its properties. In this work, A-, B- and AB-sites of Gd2Zr2O7 were designed by regulating the configurational entropy. Based on this strategy, seven types of high-entropy powders and ceramic blocks were prepared successfully. The structure and thermal properties of the as-prepared samples were investigated. The results indicate that the configurational entropy within the system and the size disorder parameter are pivotal in determining the thermal stability and thermal conductivity of the as-prepared high-entropy ceramic materials. Notably, the dual-phase high-entropy Gd2(Ce0.2Zr0.2Hf0.2Sn0.2Ti0.2)2O7 ceramic exhibits good thermal stability. The large size and mass difference between the elements results in a reduced mean free path of phonons, thereby reducing the thermal conductivity significantly. The Gd2(Ce0.2Zr0.2Hf0.2Sn0.2Ti0.2)2O7 ceramic demonstrates thermal conductivity that is substantially lower than that of Gd2Zr2O7 and other high-entropy ceramics, which is as low as 0.927–0.850 W m−1 K−1 at 200–800°C. These results indicate that the high-entropy Gd2(Ce0.2Zr0.2Hf0.2Sn0.2Ti0.2)2O7 is an outstanding candidate for application in thermal barrier technology and related fields.

钇稳定氧化锆被用作热障涂层材料,并广泛应用于热防护领域。然而,其在高温下发生相变的趋势对这些涂层的耐久性构成了巨大挑战。因此,我们需要一种具有出色的高温相稳定性和高热膨胀系数的替代材料。稀土锆酸酯(如锆酸钆(Gd2Zr2O7))因其固有特性而成为一种很有前途的候选材料。高熵陶瓷因其优异的性能而备受关注。利用高熵系统的设计原理,我们对 Gd2Zr2O7 的结构配置进行了优化,以提高其性能。在这项工作中,通过调节构型熵设计了 Gd2Zr2O7 的 A-、B- 和 AB-位点。在此基础上,成功制备了七种高熵粉末和陶瓷块。研究了制备样品的结构和热性能。结果表明,体系内的构型熵和尺寸无序参数是决定制备的高熵陶瓷材料热稳定性和热导率的关键。值得注意的是,双相高熵 Gd2(Ce0.2Zr0.2Hf0.2Sn0.2Ti0.2)2O7 陶瓷具有良好的热稳定性。元素之间的巨大尺寸和质量差导致声子的平均自由路径减小,从而大大降低了热导率。Gd2(Ce0.2Zr0.2Hf0.2Sn0.2Ti0.2)2O7陶瓷的热导率大大低于Gd2Zr2O7和其他高熵陶瓷,后者在200-800°C时的热导率低至0.927-0.850 W m-1 K-1。这些结果表明,高熵 Gd2(Ce0.2Zr0.2Hf0.2Sn0.2Ti0.2)2O7 是热障技术及相关领域应用的理想候选材料。
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引用次数: 0
Effect of Silene vulgaris callus pectin on physicochemical properties of composite hydrogel beads based on pectin and sodium metasilicate Silene vulgaris 茧果胶对基于果胶和偏硅酸钠的复合水凝胶珠理化性质的影响
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-20 DOI: 10.1007/s12034-024-03334-w
ELENA A GÜNTER

Aim of this work is to study the effect of pectin content on the physicochemical, morphological, swelling and releasing properties of composite hydrogel beads based on pectin and sodium metasilicate (SM). Synthesis of pectin–silica composite beads was carried out using the ionotropic gelation method and sol–gel reaction of SM as a silica precursor. The entrapment efficiency of mesalazine (66–88%) and gel strength (0.86–2.10 N) increased in the pectin–silica hydrogels compared to pectin–Ca hydrogels. These parameters increased with the increase in concentration of pectin. Energy-dispersive X-ray analysis showed that the silicon content was higher in the beads with an increased SM/pectin ratio (2:1). Fourier transform infrared spectroscopy revealed the formation of an organic/inorganic composite, the presence of H–bonds in pectin–silica hydrogel and the loading of mesalazine into the composite gel. Composite hydrogels with the lowest amount of pectin (an organic component) showed the highest thermal stability. Pectin–silica hydrogels were less sensitive to the adsorption of gastrointestinal fluids and released mesalazine very slowly compared to pectin–Ca gels. Mesalazine release from composite gels decreased with the increase in pectin concentration and gel strength. The gel formulations with high gel strength and a low SM/pectin ratio had the lowest mesalazine release rate in the gastrointestinal environment. Mesalazine was released slowly in gastrointestinal fluids and more rapidly in colonic fluid. Synthesized pectin–silica hydrogels based on callus culture pectin, appear to be a promising composite system for targeted drug delivery to the colon.

这项工作旨在研究果胶含量对基于果胶和偏硅酸钠(SM)的复合水凝胶珠的物理化学、形态、溶胀和释放性能的影响。以偏硅酸钠为二氧化硅前驱体,采用离子凝胶法和溶胶-凝胶反应合成了果胶-二氧化硅复合珠。与果胶-Ca 水凝胶相比,果胶-二氧化硅水凝胶中美沙拉嗪的包封效率(66-88%)和凝胶强度(0.86-2.10 N)均有所提高。这些参数随着果胶浓度的增加而增加。能量色散 X 射线分析表明,SM/果胶比(2:1)增加的珠子中硅含量更高。傅立叶变换红外光谱显示了有机/无机复合材料的形成、果胶-二氧化硅水凝胶中 H 键的存在以及美沙拉嗪在复合凝胶中的负载。果胶(有机成分)含量最低的复合水凝胶具有最高的热稳定性。与果胶-钙凝胶相比,果胶-二氧化硅水凝胶对胃肠液吸附的敏感性较低,释放美沙拉嗪的速度很慢。随着果胶浓度和凝胶强度的增加,复合凝胶中美沙拉嗪的释放量减少。高凝胶强度和低 SM/pectin 比率的凝胶配方在胃肠道环境中的美沙拉嗪释放率最低。美沙拉嗪在胃肠液中的释放速度较慢,而在结肠液中的释放速度较快。以胼胝体培养果胶为基础合成的果胶-二氧化硅水凝胶似乎是一种很有前景的向结肠定向给药的复合系统。
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引用次数: 0
Impact of magnesium hydroxide particles decorated Kenaf fibre on the physico-mechanical properties of polypropylene-based composites 氢氧化镁颗粒装饰 Kenaf 纤维对聚丙烯基复合材料物理机械性能的影响
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-20 DOI: 10.1007/s12034-024-03345-7
Samanyu Acharjya, Shyama Prasad Mohanty

The interface between matrix and reinforcement plays a vital role in determining the mechanical properties of the composite. The surface of reinforcement can be modified to enhance the interfacial bonding. In the present work, Kenaf fiber (KF) was used as a reinforcement, while polypropylene (PP) acted as a matrix. KF was chemically treated to remove the amorphous phases thereby improving its interaction with the matrix. Further, fibres were coated with magnesium hydroxide (MH) particles. Fibre to particle ratio varied in the ratio of 100:1, 50:1, 20:1 and 10:1. For the fabrication of composites, 10 wt.% KF was used and specimens were injection moulded. Particles were characterized using X-ray diffraction (XRD) and scanning electron microscopy (SEM). The moulded specimens were subjected to tensile test, impact test, water absorption test, and thermal analysis. Enhancement in mechanical properties has been observed due to improvement in interfacial bonding. Using the MH coated fibres, tensile strength and impact strength were increased by 13% and 31%, respectively.

基体和增强材料之间的界面在决定复合材料的机械性能方面起着至关重要的作用。可以对增强材料的表面进行改性,以增强界面结合力。在本研究中,Kenaf 纤维(KF)被用作增强材料,而聚丙烯(PP)则用作基体。对 KF 进行化学处理以去除无定形相,从而改善其与基体的相互作用。此外,纤维上还涂有氢氧化镁(MH)颗粒。纤维与颗粒的比例分别为 100:1、50:1、20:1 和 10:1。在制造复合材料时,使用了 10 wt.% 的 KF,并对试样进行了注塑。使用 X 射线衍射(XRD)和扫描电子显微镜(SEM)对颗粒进行表征。对模制试样进行了拉伸试验、冲击试验、吸水试验和热分析。由于界面粘合得到改善,机械性能得到提高。使用 MH 涂层纤维后,拉伸强度和冲击强度分别提高了 13% 和 31%。
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引用次数: 0
Production of biodegradable packaging film based on PLA/starch: optimization via response surface methodology 基于聚乳酸/淀粉的可生物降解包装膜的生产:通过响应面方法进行优化
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-19 DOI: 10.1007/s12034-024-03351-9
Neda Miranzadeh, Mohsen Najafi, Maryam Ataeefard

Today, economic consumption of biodegradable polymers is significant in many applications. Thermoplastic starch (TPS) and polylactic acid (PLA) are two bio-based and biodegradable polymers that are increasingly being used to replace the petrochemical-based polymers. Adding TPS into a PLA matrix can also decrease material cost and increase its biodegradation rate. This work tested the printability of TPS/PLA films. For this purpose, TPS was first prepared by the addition of sorbitol and glycerol as softeners using an internal mixer at 140°C. Then, it was added to the PLA in internal mixer at 180°C. To analyse the data, design of the experiment was done according to Box–Behnken design (BBD) method for three variables in three levels by using Design-Expert software, which led to the preparation of 15 samples. Individual and interactive effects of wt% of PLA in TPS/PLA mixture, the wt% of starch in TPS, and the ratio of sorbitol to glycerol on the tensile properties, thermal properties and printing properties (optical density) were investigated. Solvent-based flexographic ink was applied to test printability of the films. It has been found that the PLA can be successfully printed with flexographic solvent inks to achieve a quality comparable to that of common packaging films.

如今,生物可降解聚合物在许多应用领域中的经济消耗量都很大。热塑性淀粉(TPS)和聚乳酸(PLA)是两种生物基可生物降解聚合物,正越来越多地被用来替代石化基聚合物。在聚乳酸基质中添加 TPS 还能降低材料成本,提高其生物降解率。这项研究测试了 TPS/PLA 薄膜的可印刷性。为此,首先在 140°C 温度下使用内部搅拌器加入山梨醇和甘油作为软化剂制备 TPS。然后,在 180°C 的内部混合器中将其添加到聚乳酸中。为了分析数据,使用 Design-Expert 软件按照方框-贝肯设计(BBD)方法对三个变量的三个水平进行了实验设计,从而制备了 15 个样品。研究了 TPS/PLA 混合物中聚乳酸的重量百分比、TPS 中淀粉的重量百分比以及山梨糖醇与甘油的比例对拉伸性能、热性能和印刷性能(光密度)的单独和交互影响。使用溶剂型柔性版印刷油墨测试薄膜的印刷性能。结果发现,聚乳酸可以成功地用柔版溶剂型油墨进行印刷,达到与普通包装薄膜相当的质量。
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引用次数: 0
Contribution to the analysis of thermal behaviour of polymer composites: case of polyethylene/titanium diboride composites 对聚合物复合材料热行为分析的贡献:聚乙烯/二硼化钛复合材料案例
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-15 DOI: 10.1007/s12034-024-03361-7
A MIDOUN, H BENAHMED, S KHALDI

To deepen the fundamental knowledge on the effect of titanium diboride (TiB2) particle interface on thermal conductivity of three different composites with polyethylene matrices (HDPE/TiB2, MDPE/TiB2 and LDPE/TiB2), this paper is devoted to a theoretical approach on the analysis of thermal behaviour of polymer-based composites. This study is based on the Hashin and Shtrikman model, which allows us to determine the thermal conductivity considering an idealized interface between the reinforcing molecules. In addition, the Hasselman and Johnson model is used to evaluate thermal conductivity with an imperfect interface. We mainly discuss the difference between two types of interfaces with the aim of improving the thermal conductivity within the composite material used in this study without altering the mechanical and thermal behaviours. This approach creates new opportunities, especially in manufacturing, to use high-quality composite materials at low-cost and non-destructive. To this end, we have investigated the variations in the effective thermal conductivity of different composites, λeff as a function of volume fraction of the reinforcement (TiB2). In particular, we have emphasized the study on the effective thermal conductivity of the composite, taking into account interactions at the interface between the particles and matrix. Definitely, the random dispersion of spherical particles and cylindrical particles oriented perpendicular to the heat flow is considered. The main conclusion is that the form of particles and the type of interface of the reinforcement drastically affect thermal conductivity of the system under consideration.

为了加深对二硼化钛(TiB2)颗粒界面对三种不同的聚乙烯基复合材料(高密度聚乙烯/TiB2、中密度聚乙烯/TiB2 和低密度聚乙烯/TiB2)导热性影响的基础知识的了解,本文致力于从理论上分析聚合物基复合材料的热行为。这项研究以 Hashin 和 Shtrikman 模型为基础,通过该模型,我们可以确定增强分子之间理想化界面的热传导率。此外,Hasselman 和 Johnson 模型还用于评估不完美界面的导热性。我们主要讨论了两种界面之间的区别,目的是在不改变机械和热性能的情况下,提高本研究中所用复合材料的导热性。这种方法创造了新的机会,尤其是在制造领域,可以低成本、无损地使用高质量的复合材料。为此,我们研究了不同复合材料的有效热导率 λeff 随增强材料(TiB2)体积分数的变化情况。我们特别强调了对复合材料有效热导率的研究,同时考虑了颗粒与基体之间界面的相互作用。当然,我们也考虑了垂直于热流方向的球形颗粒和圆柱形颗粒的随机分散。得出的主要结论是,颗粒的形式和增强材料的界面类型会极大地影响所考虑系统的导热性。
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引用次数: 0
Effect of confinement of water monomer and dimer under confined geometries of carbon nanostructures 碳纳米结构封闭几何形状下水单体和二聚体的封闭效应
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-14 DOI: 10.1007/s12034-024-03335-9
Vishwa K Bhatt, Sajeev S Chacko, Balasaheb J Nagare

In the present study, we have confined the smallest water clusters namely, monomer and dimer under various carbon nanotubes and fullerenes using quantum mechanics/molecular mechanics methods. We observed the change in their structural, vibrational, optical and electronic properties as compared to each other as well as against the free monomer and dimer. For monomer, the confinement effect was found to be the greatest for carbon nanotube CNT(7,0) followed by C-60 and then by C-78. However, in the case of the dimer, there was a change in its structure, thus exhibiting different confining effects in each geometry. We also note that, as the diameter of the CNT goes on increasing, the confining effects over the monomer and the dimer go on decreasing. We have also confined a monomer by placing it over one C-60 fullerene, and between two and three C-60 fullerenes at various sites—the hexagon, pentagon and the vertex at different distances from the surface, and compared the extent of confinement. In the vibrational spectra, for short-range interactions, a redshift was observed, whereas a blueshift was seen in the case of long-range interactions as we went from hexagon to pentagon to vertex sites. We have also confirmed the results obtained by studying their structural, vibrational, electronic and optical properties.

在本研究中,我们利用量子力学/分子力学方法将最小的水团(即单体和二聚体)封闭在各种碳纳米管和富勒烯下。与自由单体和二聚体相比,我们观察了它们在结构、振动、光学和电子特性方面的变化。就单体而言,我们发现碳纳米管 CNT(7,0) 的限制效应最大,其次是 C-60,然后是 C-78。但是,二聚体的结构发生了变化,因此在每种几何形状中都表现出不同的约束效应。我们还注意到,随着 CNT 直径的增大,对单体和二聚体的约束效应也在减小。我们还将单体置于一个 C-60 富勒烯之上,以及两个和三个 C-60 富勒烯之间的不同位置(六角形、五角形和与表面不同距离的顶点),对其进行约束,并比较约束程度。在振动光谱中,我们观察到短程相互作用的红移,而在长程相互作用的情况下,从六边形到五边形再到顶点位置,我们观察到蓝移。我们还通过研究它们的结构、振动、电子和光学特性证实了上述结果。
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引用次数: 0
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Bulletin of Materials Science
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