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A clear-cut synthesis of silver nanoparticles using glycerol as a multipurpose medium toward catalytic hydrogenation and antibacterial 用甘油作为催化加氢和抗菌的多用途介质合成纳米银
Q3 Materials Science Pub Date : 2025-05-27 DOI: 10.1016/j.jciso.2025.100141
Van-Hoa Nguyen , Hoa-Hung Lam , Minh-Tam K. Nguyen , Thi-An-Sa Do , Hong-Phuong Phan , Trung Dang-Bao
Adapting for a green and safe protocol, this work developed a straightforward polyol method for synthesizing spherical silver nanoparticles (AgNPs), with a median size of 12.2 nm in glycerol at a low temperature (60 °C). The multipurpose nature of glycerol, acting as both a reductant and an immobilizer, was explored, demonstrating the long-term stability of AgNPs in the resulting colloidal solution. The stability of AgNPs in glycerol was also contrasted with their stability in water and other polyols. The multiple applications of AgNPs in glycerol included their use as antibacterial agents (against both E. coli and S. aureus strains) and as an eco-friendly catalyst. At room temperature, the selective hydrogenation of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) obeyed a pseudo first-order kinetic model, exhibiting a rate constant of 0.1064 min−1. The kinetic and thermodynamic results confirmed that the rate-determining step involved an electron-transfer process from adsorbed hydrogen to 4-nitrophenolate on the AgNPs surface. Utilizing glycerol as a non-toxic solvent, this colloidal AgNPs solution can be easily stored and directly used without any additional purification.
为了适应绿色和安全的方案,本研究开发了一种直接的多元醇方法来合成球形银纳米粒子(AgNPs),在低温(60°C)下,在甘油中平均尺寸为12.2 nm。甘油作为还原剂和固定化剂的多用途性质被探索,证明了AgNPs在所得到的胶体溶液中的长期稳定性。还比较了AgNPs在甘油中的稳定性及其在水和其他多元醇中的稳定性。AgNPs在甘油中的多种应用包括作为抗菌剂(针对大肠杆菌和金黄色葡萄球菌菌株)和作为环保催化剂。在室温下,4-硝基苯酚(4-NP)选择性加氢成4-氨基苯酚(4-AP)符合准一级动力学模型,反应速率常数为0.1064 min−1。动力学和热力学结果证实,速率决定步骤涉及从吸附氢到AgNPs表面4-硝基苯酚的电子转移过程。利用甘油作为无毒溶剂,这种胶体AgNPs溶液可以很容易地储存和直接使用,而无需任何额外的纯化。
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引用次数: 0
Colloidal structure, energy extensivity and Monte Carlo sampling properties of improved short-range interaction models for surfactant-coated magnetic nanoparticles 表面活性剂包覆磁性纳米颗粒改进的短程相互作用模型的胶体结构、能量延展性和蒙特卡罗采样特性
Q3 Materials Science Pub Date : 2025-05-13 DOI: 10.1016/j.jciso.2025.100138
Aimê Gomes da Mata Kanzaki , Tiago de Sousa Araújo Cassiano , João Valeriano , Fabio Luis de Oliveira Paula , Leonardo Luiz e Castro
The standard DLVO theory offers a limited description of ionic-surfacted magnetic colloids in near aggregation regimes. Correcting the electrical double layer term for ionic surfactants is not enough to successfully simulate the systems. The correction of the van der Waals energy divergence at short interparticle distances is fundamental for proper Monte Carlo sampling of nanoparticles’ configurations. We compare different short-range interaction models and show that a more detailed model leads to Monte Carlo simulations that better match theoretical expectations. Studying the energy scaling with the number of particles, we observe a slight deviation from energy extensivity across all models, small but still detectable via Akaike’s information criterion. The more detailed model predicts a strong effect of particle-size dispersity on the transition between overall attraction and repulsion. More precise modeling can significantly affect numerical predictions, in particular, the effect of particle-size dispersity on the spatial structure of colloids with high volume fraction. This emphasizes the importance of nailing down better models for describing complex colloidal dispersions.
标准DLVO理论提供了一个有限的描述离子表面的磁性胶体在近聚集制度。修正离子表面活性剂的双电层项不足以成功地模拟系统。在粒子间距离较短的情况下,范德华能量散度的校正是对纳米粒子结构进行适当的蒙特卡罗采样的基础。我们比较了不同的短程相互作用模型,并表明更详细的模型导致蒙特卡罗模拟更好地符合理论期望。通过研究粒子数量的能量尺度,我们观察到所有模型的能量广泛性都有轻微的偏差,虽然很小,但通过赤池的信息准则仍然可以检测到。更详细的模型预测,颗粒大小的分散性对整体吸引力和排斥力之间的转变有很强的影响。更精确的模拟可以显著影响数值预测,特别是粒径分散性对高体积分数胶体空间结构的影响。这强调了确定更好的模型来描述复杂胶体分散的重要性。
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引用次数: 0
Green approach to La2O3/ZnO nanocomposites synthesis via Jatropha curcas latex: Implications in photocatalysis 利用麻疯树乳胶合成La2O3/ZnO纳米复合材料的绿色途径:在光催化中的意义
Q3 Materials Science Pub Date : 2025-05-05 DOI: 10.1016/j.jciso.2025.100140
Amit Sharma, Sahil Singh, Khyati Sharma, Kamal Thakur, Khushbu Choudhary, Aastha Patial, Tamana, Vikas Dhiman
This study presents a comprehensive investigation into the synthesis of zinc oxide (ZnO) nanoparticles and lanthanum oxide (La2O3)/ZnO nanocomposites using Jatropha curcas latex, emphasizing a sustainable green chemistry methodology. Characterization techniques, including X-ray diffraction (XRD), photoluminescence (PL) spectroscopy, scanning electron microscopy (SEM), and zeta sizer analysis, were employed to elucidate the crystalline structure, optical properties, morphology, and stability of the synthesized materials. The photocatalytic efficacy of the synthesized nanomaterials was rigorously evaluated for the solar-driven photocatalytic removal of methylene blue (MB) dye. Through systematic optimization, an optimal dosage of 3 mg/mL for the La2O3/ZnO nanocomposite was identified, demonstrating a significant enhancement in degradation efficiency over ZnO nanoparticles. Under these optimized conditions, the La2O3/ZnO catalyst achieved up to 87.71 % removal of MB (initial concentration of 10 mg/L in 100 mL) within 120 min of exposure to natural sunlight. Additionally, under UV irradiation, the MB solution exhibited an exceptional 95.16 % photodegradation, with an estimated rate constant of 0.03224 min−1 after 90 min of treatment with the La2O3/ZnO nanocomposite. To further assess the performance and applicability of the photocatalysts, recyclability studies, scavenger studies, and hot filtration tests were conducted, confirming the potential of eco-friendly La2O3/ZnO nanocomposites as effective agents for sustainable environmental remediation strategies. This research not only advances the field of photocatalysis but also contributes to the development of sustainable materials for pollution mitigation.
本研究以麻疯树乳胶为原料合成氧化锌纳米粒子和氧化镧/氧化锌纳米复合材料,强调可持续的绿色化学方法。表征技术包括x射线衍射(XRD)、光致发光(PL)光谱、扫描电镜(SEM)和zeta浆料分析,以阐明合成材料的晶体结构、光学性质、形貌和稳定性。对合成的纳米材料的光催化效果进行了严格的评价,用于太阳能光催化去除亚甲基蓝(MB)染料。通过系统优化,确定了La2O3/ZnO纳米复合材料的最佳用量为3 mg/mL,表明其降解效率明显高于ZnO纳米颗粒。在此优化条件下,La2O3/ZnO催化剂在自然光照120 min内对MB(初始浓度为10 mg/L / 100 mL)的去除率高达87.71%。此外,在UV照射下,MB溶液的光降解率高达95.16%,经La2O3/ZnO纳米复合材料处理90 min后,降解率约为0.03224 min−1。为了进一步评估光催化剂的性能和适用性,进行了可回收性研究、清除剂研究和热过滤试验,证实了La2O3/ZnO纳米复合材料作为可持续环境修复策略的有效剂的潜力。这项研究不仅推动了光催化领域的发展,也为可持续材料的发展做出了贡献。
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引用次数: 0
Enhanced corrosion resistance of aluminum 6061 alloy using Ti-based thin films and plasma nitriding 采用ti基薄膜和等离子渗氮增强6061铝合金的耐蚀性
Q3 Materials Science Pub Date : 2025-04-28 DOI: 10.1016/j.jciso.2025.100139
Margono , Djarot B. Darmadi , Femiana Gapsari , Teguh Dwi Widodo , Bayu Mahdi Kartika
The corrosion resistance of aluminum alloys is a critical factor limiting their application in aggressive environments, particularly those containing chloride ions. Aluminum 6061, despite its high strength-to-weight ratio, suffers from localized corrosion in such conditions. In this study, Ti, Ti-Ni, and Ti-Ni-N thin films were deposited on aluminum 6061 alloy using the DC sputtering method, followed by plasma nitriding for the Ti-Ni-N film. The results showed that the Ti-Ni film exhibited the best corrosion resistance of 3.64 × 10−4 mm/year, with the lowest icorr of 2.80 × 10−4 A/cm2 and the highest protection efficiency, due to the formation of a stable passive layer. The Ti-Ni-N film also demonstrated enhanced hardness of 392.4 HV, though with slightly higher surface roughness of 5.76 μm. This research contributes to the development of more durable coatings for aluminum alloys, providing improved corrosion resistance in chloride-rich environments.
铝合金的耐腐蚀性是限制其在腐蚀性环境中应用的关键因素,特别是在含有氯离子的环境中。尽管铝6061的强度重量比很高,但在这种条件下会受到局部腐蚀。本研究采用直流溅射法在6061铝合金上沉积Ti、Ti- ni和Ti- ni - n薄膜,然后对Ti- ni - n薄膜进行等离子渗氮处理。结果表明,Ti-Ni膜的耐蚀性能最佳,为3.64 × 10−4 mm/年,icorr最低,为2.80 × 10−4 A/cm2,由于形成了稳定的钝化层,其防护效率最高。Ti-Ni-N膜的硬度达到392.4 HV,但表面粗糙度略高,为5.76 μm。这项研究有助于开发更耐用的铝合金涂层,在富含氯化物的环境中提供更好的耐腐蚀性。
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引用次数: 0
Selective flotation of carbonate minerals 碳酸盐矿物的选择性浮选
Q3 Materials Science Pub Date : 2025-04-24 DOI: 10.1016/j.jciso.2025.100137
Manas Barai , Tanmay Dutta , Anuttam Patra
This study explores the selective flotation of carbonate minerals-dolomite, magnesite, and calcite using amino acid-based single- and double-headed collectors. The separation efficiency was evaluated using microflotation experiments, ζ potential measurements, UV–Vis spectroscopy, FTIR spectroscopy, and molecular modelling. The study aimed to understand how the molecular architecture of collectors influences their adsorption behaviour on mineral surfaces, leading to selective flotation.
Flotation recoveries were measured at both natural and pH 10.5 conditions. The monocarboxylate collector (C12GlyNa) demonstrated high but non-selective recovery across all three minerals. In contrast, the double-headed collector, disodium N-dodecyl aminomalonate (C12MalNa2), exhibited strong selectivity, particularly for magnesite, due to optimal geometric matching between its head groups and the Mg-Mg atomic distances on the mineral surface. The amount of collector adsorbed was determined by UV–Vis analysis, while FTIR confirmed surface adsorption through characteristic alkyl stretching bands. ζ potential measurements supported these findings, showing that increased adsorption led to greater negative charge development on mineral surfaces. Molecular modelling further revealed that selective adsorption occurs when the collector's head group spacing aligns with metal-metal distances on the mineral surface, enabling effective electrostatic interactions.
These results highlight the potential for designing tailored collectors based on molecular recognition principles, offering a pathway for more efficient and selective flotation of carbonate minerals.
本研究探讨了利用氨基酸基单头和双头捕收剂对白云石、菱镁矿和方解石等碳酸盐矿物的选择性浮选。采用微浮选实验、ζ电位测量、紫外可见光谱、红外光谱和分子模型对分离效率进行了评价。该研究旨在了解捕收剂的分子结构如何影响它们在矿物表面的吸附行为,从而导致选择性浮选。测定了自然和pH 10.5条件下的浮选回收率。单羧酸盐捕收剂(C12GlyNa)在所有三种矿物中表现出高但非选择性的回收率。相比而言,双头捕收剂n -十二烷基氨基丙酸二钠(C12MalNa2)表现出较强的选择性,特别是对菱镁矿,由于其头基与矿物表面Mg-Mg原子距离之间的最佳几何匹配。通过UV-Vis分析确定了捕收剂的吸附量,而FTIR通过特征烷基拉伸带证实了表面吸附。ζ电位测量支持这些发现,表明增加的吸附导致更大的负电荷发展在矿物表面。分子模型进一步表明,当收集器的头部基团间距与矿物表面的金属-金属距离一致时,会发生选择性吸附,从而实现有效的静电相互作用。这些结果突出了基于分子识别原理设计定制捕收剂的潜力,为更有效和选择性地浮选碳酸盐矿物提供了途径。
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引用次数: 0
Construction of novel step-scheme TiO2-WO3 nanostructured heterojunction towards morphology-driven enhancement of photocatalytic hydrogen evolution 新型阶梯结构TiO2-WO3纳米异质结的构建及其光催化析氢性能的增强
Q3 Materials Science Pub Date : 2025-04-19 DOI: 10.1016/j.jciso.2025.100136
M. Rebeca Sofiya Joice , Priya Ranjan Dev , E. Iyyappan , T. Manovah David , Nithya Thangavel , Bernaurdshaw Neppolian , P. Wilson
Photocatalytic hydrogen evolution driven via solar energy is an efficient and sustainable method for hydrogen synthesis. The use of titania (TiO2), an efficient photocatalyst in hydrogen generation, can be improved further by reducing the recombination rate of photoinduced charge carriers. In this context, WO3 is a viable material to boost TiO2 photoefficiency. In the present study, 1D TiO2 nanotube/WO3 nanorod (TN-WR) Step-scheme (S-scheme) heterojunction was fabricated via a facile impregnation method. XRD studies confirmed the anatase phase of TiO2 and the monoclinic phase of WO3. Morphological studies revealed the 1D microstructure of the nanocomposite with a mesoporous surface. UV-DRS and PL profiles displayed a bathochromic shift in wavelength signifying the activation of the nanocomposite in the visible region. XPS studies indicated the generation of defective sites in TiO2 upon incorporation of WO3. Thus, the novel 1D TN-WR S-scheme heterojunction nanocomposite demonstrates a remarkably high photocatalytic hydrogen generation rate of 1761 μmol g−1h−1. In order to investigate the role of morphology in hydrogen evolution, TiO2/WO3 nanocomposites with spherical morphologies were considered for comparison. This study provides a novel insight into the design of semiconductor heterojunction photocatalysts for efficient hydrogen evolution while avoiding the use of noble metals.
太阳能驱动的光催化析氢是一种高效、可持续的氢合成方法。二氧化钛(TiO2)是一种高效的光催化剂,通过降低光诱导载流子的复合速率可以进一步提高其在制氢中的应用。在这种情况下,WO3是提高TiO2光效率的可行材料。本研究采用易浸渍法制备了1D TiO2纳米管/WO3纳米棒(TN-WR)阶梯结构(S-scheme)异质结。XRD研究证实TiO2为锐钛矿相,WO3为单斜晶相。形态学研究揭示了具有介孔表面的纳米复合材料的一维微观结构。UV-DRS和PL谱图显示了波长的变色,这表明纳米复合材料在可见光区域被激活。XPS研究表明,在加入WO3后,TiO2中会产生缺陷位点。因此,新型1D TN-WR -s方案异质结纳米复合材料具有1761 μmol g−1h−1的高光催化产氢速率。为了研究形貌在析氢过程中的作用,我们考虑了具有球形形貌的TiO2/WO3纳米复合材料进行比较。本研究为半导体异质结光催化剂的高效析氢设计提供了新的见解,同时避免了贵金属的使用。
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引用次数: 0
Consolidation of carbonates using hydrolysed polyacrylamide: Effect of temperature, pressure, salinity, and nanoparticle crosslinking 用水解聚丙烯酰胺固结碳酸盐:温度、压力、盐度和纳米颗粒交联的影响
Q3 Materials Science Pub Date : 2025-03-28 DOI: 10.1016/j.jciso.2025.100135
Jin Hau Lew , Omar K. Matar , Erich A. Müller , Adrielle Sousa Santos , Myo Thant Maung Maung , Paul F. Luckham
This paper discusses a comprehensive three-part experimental study on the consolidation of calcium carbonate (CaCO3) via hydrolysed polyacrylamide (HPAM). The first part involves the consolidation ability of HPAM on CaCO3 investigated under room conditions. The setups in this work are dilute (1:25 mass ratio of CaCO3 to HPAM) and concentrated (1:2 mass ratio) colloidal systems, and an incubation of Iceland spar calcite crystal in dilute HPAM solution. UV–Vis absorption, zeta potential, oscillatory rheology in the form of storage modulus (G’), unconfined compression stress (UCS), and atomic force microscopy (AFM) force mapping, reveal positive interactions and increased consolidation with higher HPAM dosage, up to an optimum level. The second part explores the impact of reservoir conditions, namely salinity and temperature, on the consolidating ability of HPAM. Salinity tests indicate a higher polymer dosage requirement under increased salt concentration to maintain optimum CaCO3 consolidation, while temperature tests show a reduction in peak mechanical strength of consolidated CaCO3 samples. In the final part, the preservation of the effectiveness of deploying HPAM in reservoir conditions by crosslinking it with silica nanoparticles (SiONP) is explored. The results from G′ and UCS analyses demonstrate that CaCO3 consolidated by crosslinked HPAM retains peak mechanical strength even when treated with brine and subjected to continuous heating for three days. This extensive investigation into the consolidation of CaCO3 by HPAM provides valuable insights into the potential use of HPAM for strengthening reservoir rocks, with the novel approach of crosslinking showing promise for preserving its usability in challenging reservoir conditions.
本文对水解聚丙烯酰胺(HPAM)对碳酸钙(CaCO3)的固结进行了三部分实验研究。第一部分研究了室温条件下HPAM对CaCO3的固结能力。本研究设置了稀释(CaCO3与HPAM的质量比为1:25)和浓缩(质量比为1:2)的胶体体系,并在稀释的HPAM溶液中孵育冰岛石方解石晶体。UV-Vis吸收、zeta电位、振荡流变以存储模量(G’)、无侧限压缩应力(UCS)和原子力显微镜(AFM)力图的形式显示出正向相互作用,并随着HPAM剂量的增加而增加固结,达到最佳水平。第二部分探讨了储层条件,即矿化度和温度对HPAM固结能力的影响。盐度测试表明,在盐浓度增加的情况下,为了保持最佳的CaCO3固结,聚合物用量要求更高,而温度测试表明,固结CaCO3样品的峰值机械强度降低。最后,探讨了通过与二氧化硅纳米颗粒(SiONP)交联来保持HPAM在储层条件下的有效性。G′和UCS分析的结果表明,通过交联HPAM固结的CaCO3即使经过卤水处理并连续加热3天,也能保持峰值机械强度。这项对HPAM固结CaCO3的广泛研究,为HPAM加固储层岩石的潜在用途提供了有价值的见解,新型交联方法有望在具有挑战性的储层条件下保持其可用性。
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引用次数: 0
Entropy analysis of Hall-effect-driven TiO2−CoFe2O4/ engine oil-based hybrid nanofluid flow between spinning porous disks with thermal convective boundaries 霍尔效应驱动的TiO2−CoFe2O4/机油混合纳米流体在具有热对流边界的旋转多孔盘之间流动的熵分析
Q3 Materials Science Pub Date : 2025-03-25 DOI: 10.1016/j.jciso.2025.100134
Sk Enamul , Surender Ontela
The applications of fluid dynamics and heat transfer between coaxial double-rotating disks are diverse and crucial across various engineering and scientific fields. This study is motivated by the growing need for efficient thermal management in advanced engineering applications, such as cooling systems, energy storage, and magnetohydrodynamic technologies. The research focuses on the heat transfer characteristics and entropy analysis of the flow of a second-grade hybrid nanofluid between two spinning porous disks, incorporating the effects of Hall currents, viscous dissipation, and thermal convective boundaries. The hybrid nanofluid consists of titanium dioxide and cobalt ferrite nanoparticles suspended in engine oil. The governing equations are transformed into non-dimensional forms using a similarity transformation and solved with the semi-analytical homotopy analysis method. Results reveal the effects of parameters on velocity, temperature profiles, Nusselt number, skin friction, entropy generation, and the Bejan number graphically. Notably, the temperature profile improves with increases in the Brinkman number and the thermal Biot number of the lower disk. In contrast, skin friction decreases with higher titanium dioxide volume fraction, porosity parameter, and magnetic field parameter. The heat transfer rate increases with a higher nanoparticle shape factor and magnetic field parameter. These findings offer significant implications for optimizing the thermal performance of nanofluids, particularly in advanced cooling systems, thermal energy storage, and magnetohydrodynamic applications where enhanced heat transfer and efficient thermal management are critical.
在不同的工程和科学领域中,流体动力学和同轴双旋转盘之间的传热的应用是多种多样的,也是至关重要的。这项研究的动机是在先进的工程应用中对高效热管理的日益增长的需求,如冷却系统、能量存储和磁流体动力学技术。考虑霍尔电流、粘性耗散和热对流边界的影响,研究了二级混合纳米流体在两个旋转多孔圆盘之间的传热特性和熵分析。混合纳米流体由悬浮在发动机油中的二氧化钛和钴铁氧体纳米颗粒组成。利用相似变换将控制方程转化为无量纲形式,并用半解析同伦分析法求解。结果显示了参数对速度、温度分布、努塞尔数、表面摩擦、熵产和贝让数的影响。值得注意的是,温度分布随着布林克曼数和下盘热Biot数的增加而改善。二氧化钛体积分数、孔隙度参数和磁场参数越高,表面摩擦力越小。纳米颗粒形状因子和磁场参数越高,传热速率越高。这些发现为优化纳米流体的热性能提供了重要的意义,特别是在先进的冷却系统、热能储存和磁流体力学应用中,增强的传热和有效的热管理是至关重要的。
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引用次数: 0
Heat transfer optimization in magnetohydrodynamic buoyancy-driven convective hybrid nanofluid with carbon nanotubes over a slippery rotating porous surface 磁流体动力浮力驱动的碳纳米管对流混合纳米流体在光滑旋转多孔表面上的传热优化
Q3 Materials Science Pub Date : 2025-03-24 DOI: 10.1016/j.jciso.2025.100132
Thirupathi Thumma , Surender Ontela , Devarsu Radha Pyari , S.R. Mishra , Subhajit Panda
Hybrid nanofluids containing carbon nanotubes possess the potential to augment thermal conductivity and are also employed in heat management applications. These nanofluids combine two kinds of nanostructures (single-wall and multi-wall) and have better energy conversion, cooling, and heat transmission qualities. Because of their tiny size and strength, carbon nanotubes (CNT) are used to increase machinery and components lubrication and boost system energy storage and charging cycle effectiveness of lithium-ion batteries. Therefore, a mathematical model is formulated to study the hydromagnetic CNT hybrid nanofluid mixed convective flow past an elongating porous surface in the occurrence of external heat source, thermal linear radiation, viscous and Joule dissipation. The nanoparticle diameter and interfacial layer effects are explored by incorporating the Gharesim dynamic viscosity model and Hamilton–Crosser thermal conductivity model. The partial differential equations (PDEs) defining the considered fluid flow are transformed into ordinary differential Equations (ODEs) utilizing predefined similarity transformations. The numerical Runge-Kutta method and shooting procedure are employed to obtain the outcomes. The current study establishes that the liquid momentum is controlled for the slip flow, thus with the slip condition, the amount of retardation is much higher in comparison with the no-slip condition, and the temperature of the hybrid nanofluid has been raised by a greater heat source coefficient and radiation factor. Further, the sensitivity and optimization analysis of the heat transmission rate is carried out using RSM with face-centered central composite design model of experiments. Sensitivity analysis reveals that the highest evaluated value 0.006330 of heat transmission rate is identified at the uncoded values ϕSWCNT=0.01,ϕMWCNT=0.01,N=0.10 and the least value −0.002590 is identified at the uncoded values of ϕSWCNT=0.01,ϕMWCNT=0.03,N=0.10
含有碳纳米管的混合纳米流体具有增强导热性的潜力,也被用于热管理应用。这些纳米流体结合了两种纳米结构(单壁和多壁),具有更好的能量转换、冷却和传热性能。由于其微小的尺寸和强度,碳纳米管(CNT)被用于增加机械和部件的润滑,提高锂离子电池的系统能量储存和充电循环效率。为此,建立了一个数学模型,研究了在外加热源、热线性辐射、粘性和焦耳耗散的情况下,液磁碳纳米管混合纳米流体通过细长多孔表面的混合对流流动。结合Gharesim动态黏度模型和Hamilton-Crosser热导率模型,探讨了纳米颗粒直径和界面层效应。利用预定义的相似变换,将定义所考虑流体流动的偏微分方程(PDEs)转换为常微分方程(ode)。采用数值龙格-库塔法和射击程序进行计算。本研究发现,滑移流动控制了液体动量,因此在滑移条件下,滞阻量比无滑移条件下要大得多,并且混合纳米流体的温度被更大的热源系数和辐射因子所提高。在此基础上,采用面心中心复合设计实验模型,对传热率进行了灵敏度分析和优化设计。灵敏度分析表明,在未编码的条件下,传热率的最大值为0.006330;在未编码的条件下,传热率的最小值为- 0.002590;而在未编码的条件下,则为- 0.006330
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引用次数: 0
Quantitative characterization of the mass transfer of volatile amphiphiles between vapor and aqueous phases: Experiment vs theory 挥发性两亲物在气相和水相间传质的定量表征:实验与理论
Q3 Materials Science Pub Date : 2025-03-19 DOI: 10.1016/j.jciso.2025.100133
Ralitsa I. Uzunova , Krassimir D. Danov , Rumyana D. Stanimirova , Theodor D. Gurkov
The class of volatiles, which possess low saturated vapor pressures, appreciable solubilities in water, and well pronounced surface activities, have gained wide applications in diverse areas of industry, cosmetics, and medicine. One way to qualitatively characterize their mass transfer between vapor and aqueous solutions is to measure the relaxation of the interfacial tension, σ, with time, t, under different nonequilibrium initial conditions. This approach is applied in the present work for geraniol and menthol. By means of combining σ(t) data with the respective equilibrium surface tension isotherms, the instantaneous values of the fragrance adsorption, Γ(t), have been determined. Quantitative characterization of the geraniol and menthol mass transfers in the case of adsorption from vapor to aqueous drops is achieved by using a mixed barrier-diffusion model. The obtained values of the rates of adsorption and desorption are compared with those reported in the literature for benzyl acetate, linalool, and citronellol. In the case of evaporation of the volatiles from their saturated aqueous solutions to the ambient atmosphere, the mass transfer is found to be driven both by mixed barrier-diffusion and by convection-enhanced mechanisms – depending on the air humidity. The quantitative description of the evaporation of volatile molecules is modelled theoretically by adsorption rate constants. In order to achieve the reported model representations, complex numerical calculations are implemented. On the other hand, having in mind the cases when one wishes to avoid extensive computational work, we developed a simple semiempirical model suitable for all five studied fragrances. This simplified approach is convenient for the express comparison and characterization of the evaporation rates. The obtained physicochemical parameters related to the evaporation and condensation of volatiles are important for the rigorous modeling of their complex mixed solutions of practical interest. The semiempirical model could be used for the quantitative classification of volatile molecules with respect to their ability to evaporate.
这类挥发物具有低饱和蒸汽压、易溶于水和明显的表面活性,在工业、化妆品和医药等各个领域得到了广泛的应用。在不同的非平衡初始条件下,测量界面张力σ随时间t的弛豫是定性表征它们在水蒸气和水溶液之间传质的一种方法。本方法应用于香叶醇和薄荷醇的合成。通过将σ(t)数据与各自的平衡表面张力等温线相结合,确定了香味吸附的瞬时值Γ(t)。通过使用混合屏障-扩散模型,定量表征了香叶醇和薄荷醇从水蒸气到水滴的吸附传质过程。所得的吸附和解吸速率值与文献中报道的醋酸苄酯、芳樟醇和香茅醇的吸附和解吸速率值进行了比较。在挥发物从饱和水溶液蒸发到周围大气的情况下,发现质量传递是由混合屏障扩散和对流增强机制驱动的,这取决于空气湿度。挥发性分子蒸发的定量描述是用吸附速率常数在理论上模拟的。为了实现报告的模型表示,实现了复杂的数值计算。另一方面,考虑到人们希望避免大量计算工作的情况,我们开发了一个简单的半经验模型,适用于所有五种研究的香水。这种简化的方法便于对蒸发速率进行明确的比较和表征。所获得的与挥发物蒸发和冷凝有关的物理化学参数,对于其复杂的实际混合溶液的严格建模是重要的。半经验模型可用于根据挥发性分子的蒸发能力对其进行定量分类。
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