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2 D -MHD Brinkman flow around circular cylinders inside a microchannel exhibiting wall roughness 二维mhd布林克曼流在微通道内的圆柱体周围表现出壁面粗糙度
IF 1.9 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-09-19 DOI: 10.1002/cjce.70057
Vishal Chhabra, Chandra Shekhar Nishad, K. G. Vijay, Manoj Sahni

This investigation focuses on the dynamic behaviour of the steady, pressure-driven flow of a two-dimensional viscous incompressible fluid around circular cylinders of equal diameter within a rectangular permeable microchannel featuring wall roughness. The wall roughness is modelled by implementing Navier's slip condition on the horizontal channel walls with a phase difference, examining both small and large-patterned wall roughness scenarios. The flow, characterized by a low Reynolds number, is subjected to an inclined magnetic field, while the induced magnetic field effects are neglected under a low magnetic Reynolds number assumption. The Brinkman equations describing the flow are solved using the boundary element method (BEM) based on stream function and vorticity variables. The results indicate that increasing Darcy numbers enhances the permeability of the porous medium, reducing flow resistance, particularly away from the channel walls. The Lorentz force maximizes drag when perpendicular to the flow and becomes less effective as the magnetic field inclination increases. Shear stress is minimized at Navier's slip and no-slip conditions interface. This investigation supports advancements in targeted drug delivery in microfluidic applications, optimization of lab-on-chip devices for diagnostics, and improvement of fluid dynamics in heat exchangers and filtration systems.

本研究的重点是在具有壁面粗糙度的矩形可渗透微通道内,二维粘性不可压缩流体围绕等直径圆柱体的稳定、压力驱动流动的动力学行为。通过在具有相位差的水平通道壁上实施Navier滑移条件来模拟壁面粗糙度,并检查了小模式和大模式壁面粗糙度情景。低雷诺数的流动受到倾斜磁场的作用,而低雷诺数假设下的感应磁场效应可以忽略。采用基于流函数和涡度变量的边界元法求解了描述流动的Brinkman方程。结果表明,达西数的增加提高了多孔介质的渗透性,降低了流动阻力,特别是在远离通道壁的地方。当与气流垂直时,洛伦兹力的阻力最大,而随着磁场倾角的增加,阻力减小。在纳维尔滑移和无滑移条件下,剪切应力最小。这项研究支持了微流体应用中靶向药物递送的进步,优化了用于诊断的芯片实验室设备,改进了热交换器和过滤系统中的流体动力学。
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引用次数: 0
Preface to the Catalysis for Decarbonization Special Issue Section 脱碳催化特刊部分序言
IF 1.9 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-09-18 DOI: 10.1002/cjce.70089
Clémence Fauteux-Lefebvre, Bruna Rego de Vasconcelos, Ying Zheng
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引用次数: 0
Investigating the effect of operational and geometric parameters on the performance of an axial spiral series mixer in the solvent extraction process 研究了溶剂萃取过程中操作参数和几何参数对轴向螺旋串联混合器性能的影响
IF 1.9 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-09-18 DOI: 10.1002/cjce.70076
Elham Sadat Ahmadi Moosavi, Fereshteh Bakhtiari, Alexander Mirzamoghadam, Esmaeel Darezereshki, Ataallah Soltani Goharrizi, Hamideh Barfeii

The performance of an axial spiral stirrer in mixing two aqueous and organic phases in a tank at different test conditions has been studied, and its effect on copper ion extraction was determined. The influence of speed, O/A, pH, and tank baffle parameters were investigated. Experiments were also done without a baffle, requiring a smaller tank diameter to study the effect of radial tip clearance without baffles. Mass transfer has been assessed by measuring the overall mass transfer coefficient and Sherwood number. Examination of the samples collected from nine locations on the stirring tank wall with the larger baffled tube diameter showed that apart from the speed of the stirrer, the extraction of Cu ions was influenced by the presence of baffle, liquid O/A ratio, and pH in that order. Cu ion extraction at optimal conditions (600 rpm, O/A = 1.2, pH = 2.5, and with baffle) at the end of the stirring time (180 s) was already at 99.5%. Moreover, the stirred flow axial concentration was uniform. The results of tests with a smaller diameter tank (i.e., without baffle) showed that the radial distance between this stirrer and the tank wall without the baffle after 360 s had only a 6.5% negative impact on Cu ion extraction effectiveness with the same optimal test conditions (600 rpm, O/A = 1.2, pH = 2.5), and an axially non-uniform fluid concentration was observed. Also, the large value of Sherwood numbers acquired from all the experiments (in the 300 s) gave insight into the improved performance of this stirrer design compared to pure diffusion.

研究了轴向螺旋搅拌器在不同试验条件下混合两水相和有机相的性能,并确定了轴向螺旋搅拌器对铜离子萃取的影响。考察了转速、O/A、pH、槽挡板等参数的影响。在没有挡板的情况下也进行了实验,需要较小的罐径来研究没有挡板的径向尖端间隙的影响。通过测量总传质系数和舍伍德数来评估传质。对隔板直径较大的搅拌槽壁上9个位置采集的样品进行了检测,结果表明,除搅拌速度外,隔板、液O/A比和pH的存在依次影响Cu离子的提取。在最佳条件下(600 rpm, O/A = 1.2, pH = 2.5,加挡板),搅拌时间(180 s)结束时,铜离子提取率已达99.5%。搅拌流轴向浓度均匀。较小直径槽(即不加挡板)的试验结果表明,在相同的最佳试验条件(600 rpm, O/ a = 1.2, pH = 2.5)下,360 s后搅拌器与槽壁的径向距离对Cu离子提取效果的负面影响仅为6.5%,且流体浓度轴向不均匀。此外,从所有实验中获得的Sherwood数的大值(在300秒)与纯扩散相比,深入了解了这种搅拌器设计的改进性能。
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引用次数: 0
Alkaline–acid modification of HZSM-5 zeolites: Catalytic conversion of methanol in synergy with raffinate oil to light olefins HZSM-5分子筛的碱-酸改性:甲醇与尾油协同催化转化为轻质烯烃
IF 1.9 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-09-16 DOI: 10.1002/cjce.70073
Wang Fenglan, Xu Yarong, Wei Shumei

HZSM-5 zeolites were treated by alkaline and alkaline–acid composite modification via the hydrothermal method. A comprehensive series of characterization techniques, including X-ray diffraction (XRD), scanning electron microscopy (SEM), N2 adsorption–desorption, temperature-programmed desorption of ammonia (NH3-TPD), and pyridine adsorption infrared spectroscopy (Py-IR), were employed to investigate the physicochemical properties of the ZSM-5 zeolites before and after modification. The results demonstrated that the relative crystallinity of the modified zeolites remained nearly intact, with the MFI structure being well-preserved. Nevertheless, the total acid content of both modified samples decreased, accompanied by an increase in specific surface area and pore size. Notably, the zeolites treated with alkaline–acid composite modification showed a slight elevation in the total L-acid content. When applied to the reaction of coupling methanol with raffinate oil for the production of light olefins, compared with the unmodified ZSM-5 zeolite, the modified ZSM-5 zeolites showed a significant increase in the selectivity and yield of triene. In particular, the ZSM-5 zeolite A2 modified by the alkali–acid composite method exhibited remarkable enhancements in catalytic activity and stability. Its methanol conversion rate exceeded 99%, and when the selectivity for triene reached 60.26%, the yield reached a high value of 36.8%.

采用水热法对HZSM-5分子筛进行了碱性和碱酸复合改性。采用x射线衍射(XRD)、扫描电镜(SEM)、N2吸附-解吸、氨的程序升温解吸(NH3-TPD)、吡啶吸附红外光谱(Py-IR)等一系列表征技术,对改性前后ZSM-5分子筛的理化性质进行了研究。结果表明,改性沸石的相对结晶度基本保持不变,MFI结构保存完好。然而,两种改性样品的总酸含量都有所下降,并伴随着比表面积和孔径的增加。值得注意的是,经碱-酸复合改性处理的沸石总l酸含量略有升高。将改性后的ZSM-5分子筛应用于甲醇与尾油偶联制备轻烯烃的反应中,与未改性的ZSM-5分子筛相比,改性后的ZSM-5分子筛的选择性和产率均有显著提高。其中,经碱-酸复合方法修饰的ZSM-5分子筛A2的催化活性和稳定性均有显著提高。甲醇转化率超过99%,对三烯的选择性达到60.26%时,收率达到36.8%的高值。
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引用次数: 0
Addressing emerging contaminant: The role of nano-filtration in removing methylparaben from wastewater 处理新兴污染物:纳米过滤在去除废水中对羟基苯甲酸甲酯中的作用
IF 1.9 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-09-16 DOI: 10.1002/cjce.70058
Priyanka Patel, Latesh Chaudhari, Dolly Gandhi

Methylparaben, commonly found as an emerging contaminant in personal care products and pharmaceuticals, have raised concerns due to their potential endocrine-disrupting effects on humans and male fish. Nano-filtration presents a viable alternative for mitigating this contamination. In this paper, the first part explores advances in various methods, each of which facilitates the separation of paraben from aqueous media. In the later experimental segment, the flat sheet membrane module is used for nano-filtration, for different operating parameters. The two NF300 & NF100 membranes are employed to see the efficiency of removal of nethylparaben from synthetic wastewater. The removal efficiency of methylparaben by NF300 membrane is 32.64%, while the removal efficiency by NF100 membrane is 70.46%. The efficiency of the membrane increases with the increase in pressure and decrease in the concentration. The outcome shows nano-filtration is a promising technology for addressing the emerging contaminant methylparaben in waste water.

对羟基苯甲酸甲酯是个人护理产品和药品中常见的一种新兴污染物,由于其对人类和雄性鱼类的潜在内分泌干扰作用,引起了人们的关注。纳米过滤为减轻这种污染提供了一种可行的替代方案。在本文中,第一部分探讨了各种方法的进展,每一种方法都有助于对羟基苯甲酸酯从水介质中分离。在后面的实验环节中,使用平板膜模块进行纳米过滤,用于不同的操作参数。采用两种NF300和NF100膜对合成废水中对羟基苯甲酸乙酯的去除效果进行了研究。NF300膜对羟基苯甲酸甲酯的去除率为32.64%,NF100膜对羟基苯甲酸甲酯的去除率为70.46%。膜的效率随压力的增大而增大,随浓度的减小而减小。结果表明,纳米过滤技术是处理废水中新出现的污染物对羟基苯甲酸甲酯的一种很有前途的技术。
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引用次数: 0
Optimization of lipolysis variables of tengkawang seed fat (illipe butter) using frangipani resin derived lipase 天竺葵树脂衍生脂肪酶对藤卡旺籽脂(牛油)脂解变量的优化研究
IF 1.9 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-09-16 DOI: 10.1002/cjce.70074
Fikra Hanifah, Astri Nur Istyami, Meiti Pratiwi, Dwi Hantoko, Tirto Prakoso

This study aimed to determine the optimum conditions for the lipolysis of tengkawang fat using lipase derived from frangipani resin to produce free fatty acids, which, particularly stearic acid, serve as key intermediates in various industrial applications. A 2(4–1) fractional factorial design was used to screen the effects of pH, temperature, enzyme concentration, and buffer-to-fat ratio on the degree of lipolysis. The 5-h reaction yielded a reaction mass of 43.35% of free fatty acids. ANOVA results revealed that pH, enzyme concentration, and their interaction were significant, with curvature present at the centre point. Optimization was then conducted using response surface methodology (RSM) with a face-centred central composite design (FCCCD). The highest degree of lipolysis achieved was 89.54% under the conditions of pH 7, temperature 27°C, enzyme concentration 10%, and a buffer-to-fat ratio of 2:1. Time profile observations showed that the lipolysis reaction proceeded slowly, reaching 89.53% at the end of 24 h.

本研究旨在确定利用桂花树脂提取的脂肪酶对藤卡王脂肪进行脂解制备游离脂肪酸的最佳工艺条件。游离脂肪酸,特别是硬脂酸,可作为多种工业应用的关键中间体。采用2(4-1)分数因子设计筛选pH、温度、酶浓度和缓冲脂肪比对脂肪分解程度的影响。反应5 h,游离脂肪酸的反应质量为43.35%。方差分析结果显示,pH值,酶浓度及其相互作用是显著的,在中心点存在曲率。然后使用响应面法(RSM)和面心中心复合设计(FCCCD)进行优化。在pH为7、温度为27℃、酶浓度为10%、缓冲脂肪比为2:1的条件下,脂解度最高,达到89.54%。时间剖面观察表明,脂解反应进行缓慢,24 h时达到89.53%。
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引用次数: 0
Synthesis of shape-controlled silica nanoparticles via dual soft templates: A comparative study between aqueous and microemulsion synthesis for the impregnation of procaine anaesthesia drug 双软模板法合成可控制形状的二氧化硅纳米颗粒:用于普鲁卡因麻醉药物浸渍的水法制备和微乳法制备的比较研究
IF 1.9 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-09-15 DOI: 10.1002/cjce.70087
Zine eddine Daikh, Edrees Abu Zeitoun, Teffaha Fergoug, Youcef Bouhadda, Khaled Derkaoui, Khaled Bekki, Aicha Kadiri, Yassine Chaker, Mustapha El Hariri El Nokab, Cameron S. Vojvodin, Tuo Wang, Paul H. M. Van Steenberge, Khaled O. Sebakhy

Silica nanoparticles (SiNPs) are promising drug delivery nanocarriers due to their tunable size, porous structure, and surface properties. This study compares two synthesis methods: (i) a low-temperature aqueous sol–gel process yielding SiNPs of 500–700 nm, and (ii) a water-in-oil (W/O) microemulsion using either CTAB or TX-100 surfactants. Surfactant selection significantly affected nanoparticle size, stability, and dispersity. Characterization by dynamic light scattering (DLS), scanning electron microscopy (SEM), X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET), solid-state nuclear magnetic resonance spectroscopy (ssNMR), X-ray photoelectron spectroscopy (XPS), and photoluminescence analysis (PL) confirmed successful synthesis. The TX-100-mediated microemulsion method proved particularly effective in achieving highly stable, reproducible, and monodisperse SiNPs, with a size limit of approximately 100 nm, making them ideal candidates for drug encapsulation. Procaine (PRC) incorporation demonstrated the role of reverse micelle dynamics and surfactant-stabilized interfaces in enhancing encapsulation efficiency. This work highlights the critical role of surfactant and medium selection in SiNPs synthesis, demonstrating their impact on nanoparticle stability, dispersity, and drug loading efficiency. The TX-100-mediated microemulsion technique emerges as a superior approach for producing stable, monodisperse SiNPs, advancing the design of nanocarriers for PRC drug delivery applications.

二氧化硅纳米颗粒(SiNPs)由于其可调节的尺寸、多孔结构和表面特性,是很有前途的药物递送纳米载体。本研究比较了两种合成方法:(i)产生500-700 nm sinp的低温水溶胶-凝胶工艺,以及(ii)使用CTAB或TX-100表面活性剂的油包水(W/O)微乳液。表面活性剂的选择显著影响纳米颗粒的大小、稳定性和分散性。通过动态光散射(DLS)、扫描电镜(SEM)、x射线衍射(XRD)、brunauer - emmet - teller (BET)、固态核磁共振谱(ssNMR)、x射线光电子能谱(XPS)、光致发光分析(PL)等表征方法证实了合成成功。事实证明,tx -100介导的微乳液法在获得高度稳定、可重复性和单分散的sinp方面特别有效,其尺寸限制约为100 nm,使其成为药物包封的理想候选物。普鲁卡因(PRC)掺入证明了反胶束动力学和表面活性剂稳定界面对提高包封效率的作用。这项工作强调了表面活性剂和介质选择在SiNPs合成中的关键作用,证明了它们对纳米颗粒稳定性、分散性和载药效率的影响。tx -100介导的微乳液技术是生产稳定的单分散sinp的一种优越方法,促进了PRC药物递送应用的纳米载体的设计。
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引用次数: 0
A phenomenological study of bubbles from the venturi pipe microbubble generator without and with guitar string insertion 文丘里管微泡发生器气泡的现象学研究
IF 1.9 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-09-15 DOI: 10.1002/cjce.70084
Anugerah Erlaut, Soen Steven, Pandit Hernowo, Ibnu Maulana Hidayatullah, Neng Tresna Umi Culsum, Intan Clarissa Sophiana, Tulus Sukreni, Mubiar Purwasasmita

The phenomena of bubble formation from the venturi pipe microbubble generator were investigated. The air hole sizes were varied at 1, 0.5, and 0.3 mm while the volumetric flow rates were set at 4, 5, 6, 7, and 8 LPM. Insertion of a guitar string with a diameter of 0.2 mm into the 0.5 mm air hole size was also performed to examine its effect. The simulation of the bubble shrinkage process in water (sizes of 25, 50, 75, and 100 μm) was held with and without saturated nitrogen at 0.25, 0.5, 0.75, 0.875, and 1 atm. The experiment shows that average bubble sizes for air hole sizes of 1, 0.5, and 0.3 mm are 1.37, 1.40, and 1.09 mm, respectively. The flow rate alteration significantly affects the bubble sizes for air hole sizes of 0.5 and 0.3 mm but is not meaningful for 1 mm. In addition, the guitar string insertion also produces spherical bubbles with a size of 1.33 mm for deep depth location. Moreover, simulation results prove that smaller bubble sizes lead to prolonged shrinkage time and a greater mass transfer coefficient in the liquid phase with and without saturated nitrogen.

研究了文丘里管微泡发生器的气泡形成现象。孔径分别为1、0.5和0.3 mm,体积流量分别为4、5、6、7和8 LPM。将一根直径为0.2 mm的吉他弦插入0.5 mm大小的气孔中,以检验其效果。在0.25、0.5、0.75、0.875和1 atm的饱和氮条件下,分别对25、50、75和100 μm大小的水中气泡收缩过程进行模拟。实验结果表明,孔径为1,0.5和0.3 mm时,平均气泡尺寸分别为1.37、1.40和1.09 mm。当气孔尺寸为0.5和0.3 mm时,流量变化对气泡尺寸有显著影响,而当气孔尺寸为1 mm时,流量变化对气泡尺寸无显著影响。此外,吉他弦插入也会产生1.33 mm大小的球形气泡,用于深度定位。此外,模拟结果表明,在有饱和氮和没有饱和氮的情况下,气泡尺寸越小,收缩时间越长,液相传质系数越大。
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引用次数: 0
Learning hydrocracking reaction dynamics via neural ODEs: A data-driven, gradient-interpretable lumped modelling framework 通过神经ode学习加氢裂化反应动力学:一个数据驱动、梯度可解释的集总建模框架
IF 1.9 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-09-15 DOI: 10.1002/cjce.70080
Souvik Ta, Lakshminarayanan Samavedham, Ajay K. Ray

This study applies neural ordinary differential equations (neural ODEs) to model hydrocracking kinetics, a key process for converting heavy hydrocarbons into lighter products like gasoline and diesel. Neural ODEs provide a data-driven approach, learning reaction dynamics directly from data without requiring explicit assumptions on kinetics, addressing limitations in traditional methods. Two neural ODE models were trained on synthetic hydrocracking data representing different kinetic assumptions: one based on a 2.5-order reaction scheme (Model A) and the other on a first-order scheme (Model B), across varying temperatures and feedstocks. The models demonstrated high predictive accuracy when predicting within the range of training data, with RMSE values remaining below 0.5 wt.% under most conditions. However, performance declined during high-temperature extrapolation scenarios, particularly for the higher-order model, revealing challenges in capturing nonlinear dynamics at extreme conditions. This work also enhanced the interpretability of neural ODEs by analyzing gradients within the model, which validated alignment with known kinetic principles, uncovering critical information about reaction pathways and temperature sensitivities. This analysis demonstrated the models' ability to capture temperature-dependent behaviour and rate stabilization, as illustrated through heat maps, which further emphasized the potential of neural ODEs for both predictive accuracy and interpretative insights in hydrocracking modelling. Additionally, the extracted gradients present an exciting avenue for future advancements, such as leveraging symbolic regression techniques to uncover governing equations.

本研究应用神经常微分方程(neural ode)来模拟加氢裂化动力学,这是将重碳氢化合物转化为汽油和柴油等轻质产品的关键过程。神经ode提供了一种数据驱动的方法,直接从数据中学习反应动力学,而不需要对动力学进行明确的假设,解决了传统方法的局限性。在不同温度和原料条件下,对代表不同动力学假设的合成加氢裂化数据进行了两个神经ODE模型的训练:一个基于2.5级反应模式(模型a),另一个基于一阶反应模式(模型B)。在训练数据的范围内,模型显示出很高的预测精度,在大多数情况下,RMSE值保持在0.5 wt.%以下。然而,在高温外推场景下,特别是高阶模型,性能下降,这表明在极端条件下捕获非线性动力学存在挑战。这项工作还通过分析模型内的梯度,增强了神经ode的可解释性,验证了与已知动力学原理的一致性,揭示了有关反应途径和温度敏感性的关键信息。该分析证明了该模型能够捕捉温度依赖行为和速率稳定,如热图所示,这进一步强调了神经ode在加氢裂化建模中的预测准确性和解释性的潜力。此外,提取的梯度为未来的进步提供了令人兴奋的途径,例如利用符号回归技术来揭示控制方程。
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引用次数: 0
Pore structure of ethyl cellulose (EC)/graphene oxide (GO) composite film investigated by electrochemical impedance spectroscopy 电化学阻抗谱研究了乙基纤维素(EC)/氧化石墨烯(GO)复合膜的孔隙结构
IF 1.9 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-09-15 DOI: 10.1002/cjce.70099
Hejie Shen, Xiaomin Dian, Zisheng Feng, Zhe Chen, Geming Wang, Ping Fu, Zhidong Lin, Lei Yao, Hamdy F. M. Mohamed

Ethyl cellulose (EC) is one of the important coating materials for the short-term protection of precious metals and jewellery. In this study, graphene oxide (GO) was introduced in EC films, and electrochemical impedance spectroscopy (EIS) was utilized to probe the ion permeation through the films. EIS results demonstrate the film resistance increased with the GO content from 0 to 1 wt.%, and decreased with the GO content from 1 to 4 wt.%. It indicates that the ion penetration first becomes difficult and then easier with the increase in GO content. SEM results reveal that the pore sizes of the doped EC composite films first decrease and then increase with the increase of GO content. Additionally, water contact angle results indicate that introducing GO enhanced the surface hydrophilicity of the EC composite film. The tensile test shows that the EC/GO composite film achieves the best mechanic property at the GO content of 1 wt.%. These findings indicate that the pore structure of EC could be adjust by GO platelet, which could be an easy method to modify the ion barrier through EC film.

乙基纤维素(EC)是贵金属和珠宝首饰短期防护的重要涂层材料之一。在本研究中,将氧化石墨烯(GO)引入到EC薄膜中,并利用电化学阻抗谱(EIS)来探测离子在薄膜中的渗透。EIS结果表明,随着氧化石墨烯含量从0到1 wt的增加,薄膜电阻增加。%,随着氧化石墨烯含量从1 wt.%降至4 wt.%。表明随着氧化石墨烯含量的增加,离子渗透先变得困难后变得容易。SEM结果表明,随着氧化石墨烯含量的增加,掺杂EC复合膜的孔径先减小后增大。此外,水接触角结果表明,引入氧化石墨烯增强了EC复合膜的表面亲水性。拉伸试验表明,当氧化石墨烯含量为1 wt.%时,EC/GO复合膜的力学性能最佳。这些结果表明,氧化石墨烯血小板可以调节EC的孔隙结构,这可能是一种通过EC膜修饰离子屏障的简便方法。
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引用次数: 0
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