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Enhancing copper corrosion resistance in highly caustic environments: Evaluation of environmentally friendly inorganic inhibitors and mechanistic insights 增强铜在高腐蚀性环境中的耐腐蚀性:环境友好型无机抑制剂的评估与机理研究
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-10-01 DOI: 10.1016/j.ijoes.2024.100815
Issam saber , Khadija dahmani , Otmane Kharbouch , Zakia Aribou , Soumya Ferraa , Nouf H. Alotaibi , Marouane El-alouani , Rachid Hsissou , Basheer M. Al-Maswari , Mouhsine Galai , Mohamed Ebn Touhami , Zaroual Aziz , M.S. El youbi
During this study, two inorganic glasses materials with chemical compositions of (1−x) (2Bi2 O3 ⋅B2 O3)–x BaO (with x=0.2 (BiB-Ba0.2) and x=0.6 and (BiB-Ba0.6)) were synthetized characterized and investigated as viable, ecofriendly, and sustainable inhibitors to mitigate copper corrosion in a highly caustic solution containing 0.5 M H2SO4 solution. To evaluate inhibition processes, several techniques were employed, including potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), X-ray diffraction (XRD), Fourier transforms infrared spectroscopy (FTIR), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), and atomic force microscopy (AFM). Furthermore, the results show that the two inhibitors studied, BiB-Ba0.2 and BiB-Ba0.6, have higher corrosion inhibition efficiencies at the optimum concentration (10−3 M), reaching 91.2 % and 90.8 %, respectively. Moreover, these findings suggest that the two inorganic compounds elaborated possess inhibitors of mixed types. Copper oxide (Cu2O) production is markedly delayed when the two inhibitors are added to the acid medium, according to the findings of the XRD, FTIR, SEM/EDS, and AFM investigations. This outcome is explained by the development of a shield that lessens surface damage to copper metal, producing a smoother surface morphology.
在这项研究中,合成了两种化学成分为 (1-x) (2Bi2 O3 ⋅B2 O3)-x BaO(x=0.2(BiB-Ba0.2)和 x=0.6 和 (BiB-Ba0.6))的无机玻璃材料,并将其表征和研究为可行、生态友好和可持续的抑制剂,以减轻铜在含有 0.5 M H2SO4 溶液的高腐蚀性溶液中的腐蚀。为了评估抑制过程,采用了多种技术,包括电位极化(PDP)、电化学阻抗光谱(EIS)、X 射线衍射(XRD)、傅立叶变换红外光谱(FTIR)、扫描电子显微镜(SEM)、能量色散 X 射线光谱(EDS)和原子力显微镜(AFM)。此外,研究结果表明,所研究的两种抑制剂(BiB-Ba0.2 和 BiB-Ba0.6)在最佳浓度(10-3 M)下具有更高的缓蚀效率,分别达到 91.2 % 和 90.8 %。此外,这些研究结果表明,所制备的两种无机化合物具有混合类型的抑制剂。根据 XRD、傅立叶变换红外光谱、扫描电镜/电子显微镜和原子力显微镜的研究结果,在酸性介质中加入这两种抑制剂后,氧化铜(Cu2O)的生成明显延迟。产生这种结果的原因是形成了一种保护层,减少了对铜金属表面的破坏,使表面形态更加光滑。
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引用次数: 0
Uniformity enhancement of flow field through optimizing nozzle structure for jet electrochemical machining 通过优化喷嘴结构提高喷射电化学加工的流场均匀性
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-21 DOI: 10.1016/j.ijoes.2024.100809
Zhenghui Ge , Haoran Wu , Qifan Hu , Haitao Zhu , Yongwei Zhu
To improve the processing quality during the Jet electrochemical machining (JECM) process, a single-orifice nozzle and dual-orifice nozzles with different inclination angles were designed, where the fluid dynamic behavior was numerically simulated. Then, through the L49 (74) orthogonal design and error analysis, the influence of nozzle dimension on the flow field characteristics was analyzed. Finally, the nozzle with optimal structure and dimension was obtained and validated by experiment. Results show that the dual-orifice nozzles had better flow field uniformity than the single-orifice nozzle. In the dual-orifice nozzle, the increase of the inlet inclination angle can improve the flow field uniformity. The influence of the nozzle dimension parameters on the flow field uniformity is prioritized as follows: the outlet slit width > upper chamber diameter > the height of the inflow chamber > the height of the transition chamber. After optimization, the optimal dimension parameters were obtained under the upper chamber diameter of 16 mm, the jet outlet slit width of 0.4 mm, the height of the inflow chamber of 7 mm, and the height of the transition chamber of 23 mm. The flow velocity dispersions under the pressures of 0.3, 0.4, and 0.5 MPa can be reduced by 25.41 %, 25.17 %, and 28.16 %. The findings can help understand the flow behavior and guide the structure optimization for improving JECM quality.
为了提高喷射电化学加工(JECM)过程中的加工质量,设计了不同倾角的单孔喷嘴和双孔喷嘴,并对其流体动力学行为进行了数值模拟。然后,通过 L49 (74) 正交设计和误差分析,分析了喷嘴尺寸对流场特性的影响。最后,获得了结构和尺寸最优的喷嘴,并通过实验进行了验证。结果表明,与单孔喷嘴相比,双孔喷嘴具有更好的流场均匀性。在双孔喷嘴中,增加入口倾角可以改善流场均匀性。喷嘴尺寸参数对流场均匀性的影响依次为:出口缝宽>;上腔直径>;流入腔高度>;过渡腔高度。经过优化,在上腔直径为 16 毫米、射流出口狭缝宽度为 0.4 毫米、流入腔高度为 7 毫米、过渡腔高度为 23 毫米的条件下,获得了最佳尺寸参数。在 0.3、0.4 和 0.5 兆帕压力下,流速分散度可分别降低 25.41 %、25.17 % 和 28.16 %。这些发现有助于理解流动行为,并为结构优化提供指导,从而提高 JECM 的质量。
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引用次数: 0
Advances in transition metal oxide cathodes for zinc-ion batteries – A review focusing on safety and toxicity 锌离子电池用过渡金属氧化物阴极的研究进展--以安全性和毒性为重点的综述
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-20 DOI: 10.1016/j.ijoes.2024.100804
Suben Sri Shiam , Jyotisman Rath , Amirkianoosh Kiani
Aqueous Zinc-ion Batteries (AZIBs) have garnered significant attention as promising alternatives to conventional lithium-ion batteries, owing to their inherent advantages such as high energy density, affordability, and non-flammability. Despite their potential, achieving high-performance cathode materials remains a challenge, necessitating a delicate balance between electrochemical properties and considerations of environmental toxicity and human health. This comprehensive review delves into recent advancements in transition metal oxide cathodes, focusing on their potential to address safety, toxicity, cost, and feasibility concerns. The importance of toxicity has emerged prominently in recent years, fueled by increasing awareness of environmental and health impacts associated with energy storage technologies. Meanwhile, feasibility encompasses not only the electrochemical performance of cathode materials but also considerations of scalability, cost-effectiveness, and compatibility with large-scale energy storage applications. The review begins with a brief yet focused overview of Zinc batteries, providing an accurate classification, foundational understanding, and overview of current challenges. It then delves into contemporary concerns surrounding toxicity, cost, and feasibility of transition metal oxide cathode materials. In subsequent sections, various works involving oxide cathodes of Ti, Fe, Mn, and other relevant transition metals are thoroughly examined for their ability to meet these considerations. Lastly, key strategies directed towards mitigation of toxicity issues and cost-effective development of ZIBs is provided along with valuable insights into the future direction of AZIB research and development.
锌离子水电池(AZIBs)因其固有的高能量密度、经济性和不可燃性等优势,作为传统锂离子电池的替代品而备受关注。尽管具有潜力,但实现高性能正极材料仍然是一项挑战,需要在电化学性能与环境毒性和人类健康之间取得微妙的平衡。本综述深入探讨了过渡金属氧化物阴极的最新进展,重点关注它们在解决安全性、毒性、成本和可行性等问题方面的潜力。近年来,由于人们越来越意识到储能技术对环境和健康的影响,毒性的重要性日益凸显。同时,可行性不仅包括阴极材料的电化学性能,还包括可扩展性、成本效益以及与大规模储能应用的兼容性。本综述首先简要但重点突出地概述了锌电池,提供了准确的分类、基本的理解和当前挑战的概述。然后,文章深入探讨了当前人们对过渡金属氧化物阴极材料的毒性、成本和可行性的关注。在随后的章节中,将对涉及钛、铁、锰和其他相关过渡金属氧化物阴极的各种研究成果进行深入研究,以了解它们是否能够满足这些考虑因素。最后,介绍了旨在减轻毒性问题和以具有成本效益的方式开发 ZIB 的关键策略,以及对 AZIB 未来研发方向的宝贵见解。
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引用次数: 0
Cr-doped NiO nanocrystals anchored on wood-based carbon for enhanced electrocatalytic oxidation of urea 锚定在木质碳上的掺铬氧化镍纳米晶体用于增强尿素的电催化氧化作用
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-19 DOI: 10.1016/j.ijoes.2024.100805
Chen Li , Yujuan Zhang

The urea oxidation reaction (UOR) has potential application in water electrolysis-assisted hydrogen generation, fuel cells, and the treatment of urea-containing wastewater. In this work, the composite (Cr-NiO/CWF) was synthesized by anchoring Cr and NiO onto carbonized wood fiber (CWF) by hydrothermal method combined with pyrolysis, utilizing biomass wood fiber (WF) as the precursor for the carbon substrate. The optimal Cr-NiO/CWF has significant UOR activity, and the current density (j) can reach 310.40 mA cm−2 at 1.67 V, while the required potential for UOR is 1.36 V at the j value of 10 mA cm−2. After 12 h of long-term chronoamperometry (CA) testing, the j retention rate of Cr-NiO/CWF is 90 %. The excellent properties of Cr-NiO/CWF composites are mainly ascribed to the effective modulation of the electronic structure by Cr doping, which optimizes the adsorption behavior of the reactants and products. Cr-NiO nanoparticles enhance the carrier mobility and accelerate the electron transfer rate between Cr-NiO and carbon substrate. Moreover, Cr-NiO nanoparticles are tightly anchored onto the nitrogen-doped carbon substrate to enhance the stability of the composite.

尿素氧化反应(UOR)有望应用于水电解辅助制氢、燃料电池和含尿素废水的处理。本研究以生物质木纤维(WF)为碳基质前驱体,通过水热法结合热解将铬和氧化镍锚定在碳化木纤维(CWF)上,合成了复合材料(Cr-NiO/CWF)。最佳的 Cr-NiO/CWF 具有显著的铀氧化还原活性,在 1.67 V 的电压下,电流密度(j)可达到 310.40 mA cm-2,而在 j 值为 10 mA cm-2 时,铀氧化还原所需的电位为 1.36 V。经过 12 小时的长期精密计时器(CA)测试,Cr-NiO/CWF 的 j 值保持率为 90%。Cr-NiO/CWF 复合材料的优异性能主要归功于掺杂铬对电子结构的有效调节,从而优化了反应物和产物的吸附行为。Cr-NiO 纳米粒子增强了载流子迁移率,加快了 Cr-NiO 与碳基底之间的电子转移速度。此外,Cr-NiO 纳米粒子被紧密地固定在掺氮的碳基底上,从而提高了复合材料的稳定性。
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引用次数: 0
Design and numerical analysis of a Y-shaped flow channel for enhanced hydrogen production in solid oxide electrolysis cells 设计 Y 型流道并对其进行数值分析,以提高固体氧化物电解槽的制氢能力
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-19 DOI: 10.1016/j.ijoes.2024.100806
Yachao Tu , Haoxiang Lin , Mingliang Chen , Zhonggang Zhang , Weiqiang Cai , Zhaoyi Zhu
Hydrogen produced from renewable sources is crucial for reducing carbon emissions and mitigating the impact of greenhouse gases. Solid Oxide Electrolysis Cells (SOECs) offer high efficiency in this regard, making them a focus of significant research interest. This study introduces a novel approach using numerical simulations to design a Y-shaped flow channel interconnector for the first time. A three-dimensional multiphysics coupling mathematical model is developed to investigate hydrogen production via water electrolysis in SOECs. Comparative analysis between the new Y-shaped flow channel and traditional straight channel SOEC models covers component distribution, temperature field, electrolyte current density, and thermal stress. Simulation results indicate a 20.72 % increase in hydrolysis rate with the Y-shaped channel under a counter-flow arrangement compared to the conventional straight channel. The rhombic connectors in the Y-shaped design lead to a more uniform current density distribution, with a maximum current density higher by approximately 647 A/m2 than the straight channel. However, the Y-shaped channel exhibits higher temperatures, resulting in larger thermal stress.
利用可再生资源生产氢气对于减少碳排放和减轻温室气体的影响至关重要。固体氧化物电解池(SOEC)在这方面具有很高的效率,因此成为研究的重点。本研究首次采用数值模拟的新方法来设计 Y 型流道互联器。研究还建立了一个三维多物理场耦合数学模型,以研究 SOECs 中通过电解水制氢的情况。新的 Y 型流道与传统直流道 SOEC 模型之间的比较分析包括成分分布、温度场、电解质电流密度和热应力。模拟结果表明,在逆流布置下,Y 型流道的水解率比传统直流道提高了 20.72%。Y 型设计中的菱形连接器使电流密度分布更加均匀,最大电流密度比直槽高出约 647 A/m2 。不过,Y 型通道的温度更高,导致热应力更大。
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引用次数: 0
Porosity and permeability optimization of PEMFC cathode gas diffusion layer based on topology algorithm 基于拓扑算法优化 PEMFC 阴极气体扩散层的孔隙率和渗透率
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-18 DOI: 10.1016/j.ijoes.2024.100803
Minggang Zheng , Han Liang , Wenxie Bu , Cheng Qu , Xiaoxu Hu , Zhihu Zhang
The gas diffusion layer (GDL) is a crucial component in proton exchange membrane fuel cells (PEMFCs), significantly affecting mass transport and overall cell performance. Due to the pronounced pressure gradients and uneven mass transfer between the inlet and outlet of the serpentine flow field, this study proposes the design of a GDL with a concentration gradient to optimize performance. Leveraging topological optimization algorithms, the research focuses on enhancing the mass transport properties and improving cell efficiency. The optimization process considers the pressure distribution, oxygen concentration, and water content within the serpentine flow field as boundary conditions. By optimizing the porosity and permeability of the GDL in different regions, the study aims to enhance the GDL's mass transport capabilities. Simulation results demonstrate that initializing the porosity at 1 provides superior optimization, significantly enhancing mass transfer and overall cell performance. Although increased permeability contributes to improved mass transport, its impact is less significant compared to porosity optimization. Therefore, GDL porosity is identified as the dominant factor in enhancing cell performance, while permeability adjustments play a secondary role.
气体扩散层(GDL)是质子交换膜燃料电池(PEMFC)中的关键部件,对质量传输和电池整体性能有重大影响。由于蛇形流场的入口和出口之间存在明显的压力梯度和不均匀的质量传输,本研究提出设计具有浓度梯度的 GDL,以优化性能。利用拓扑优化算法,研究重点是增强质量传输特性和提高电池效率。优化过程将蛇形流场中的压力分布、氧气浓度和含水量作为边界条件。通过优化 GDL 不同区域的孔隙率和渗透率,该研究旨在增强 GDL 的质量传输能力。仿真结果表明,将孔隙率初始化为 1 的优化效果更佳,可显著提高质量传输和电池的整体性能。虽然增加渗透率有助于改善质量传输,但与孔隙率优化相比,其影响并不显著。因此,GDL 孔隙率被认为是提高电池性能的主要因素,而渗透性调整则起次要作用。
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引用次数: 0
Corrosion inhibition of carbon steel in NaCl solution Using a mixture of alkanol amine and calcium nitrite: Electrochemical and microscopic evaluation 使用烷醇胺和亚硝酸钙混合物抑制氯化钠溶液中碳钢的腐蚀:电化学和显微镜评估
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-18 DOI: 10.1016/j.ijoes.2024.100802
Xiaohua Chen, Zhanshan Wang, Shuang Yu, Guixia Li
The corrosion inhibition properties of carbon steel in 3.50 % NaCl corrosion solution were studied by using a compound rust inhibitor composed of alkanol amine and calcium nitrate. The electrochemical impedance spectrum and surface microscopic tests on steel corrosion were carried out under the condition of 3.500 % NaCl corrosion solution, and the AC impedance spectrum curve and microscopic morphology of different proportion of rust inhibitors (alkanol amines, calcium nitrite) on steel corrosion in concrete were obtained. The influence of composite rust inhibitors on steel corrosion process was analyzed. The results show that the composite rust inhibitor composed of 0.50 % alcoholamine and 0.50 % calcium nitrite can prolong the time of steel corrosion and decrease the corrosion rate, in the same environment, the corrosion rate of the steel bar is only 1.27 mm year−1, and the corrosion inhibition efficiency (η) is 97.8 %. Comparing the microstructure of each group, it was found that the passivation film on the surface of the steel bar with the composite rust inhibitor was dense, and no rust spots were found, which protected the steel bar well and achieved the effect of rust inhibition.
使用由烷醇胺和硝酸钙组成的复合阻锈剂研究了碳钢在 3.50 % NaCl 腐蚀溶液中的阻锈性能。在 3.500 % NaCl 腐蚀溶液条件下,对钢材腐蚀进行了电化学阻抗谱和表面显微测试,得到了不同比例阻锈剂(烷醇胺、亚硝酸钙)对混凝土中钢材腐蚀的交流阻抗谱曲线和显微形貌。分析了复合阻锈剂对钢材锈蚀过程的影响。结果表明,由 0.50 % 的醇胺和 0.50 % 的亚硝酸钙组成的复合阻锈剂可延长钢筋锈蚀时间,降低锈蚀速率,在相同环境下,钢筋的锈蚀速率仅为 1.27 mm year-1,阻锈效率(η)为 97.8 %。对比各组的微观结构发现,使用复合阻锈剂的钢棒表面钝化膜致密,未发现锈斑,很好地保护了钢棒,达到了阻锈效果。
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引用次数: 0
A study on the corrosion inhibition impact of newly synthesized quinazoline derivatives on mild steel in 1.0 M HCl: Experimental, surface morphological (SEM-EDS and FTIR) and computational analysis 研究新合成的喹唑啉衍生物在 1.0 M HCl 溶液中对低碳钢的缓蚀作用:实验、表面形态(SEM-EDS 和 FTIR)和计算分析
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-17 DOI: 10.1016/j.ijoes.2024.100795
Moussa Ouakki , Zakia Aribou , Fatima El Hajri , Elhachmia Ech-chihbi , Zakaria Benzekri , Redouane Lachhab , Bousalham Srhir , Martin Patrick , Rafa Almeer , Mouhsine Galai , Said Boukhris , Mohammed Cherkaoui
Two new quinazoline derivatives were investigated in this research, namely 12-(4-methoxyphenyl) and 3,3-dimethyl-12-(4-nitrophenyl)-3,4,5,12-tetrahydrobenzo[4,5]imidazo[2, 1-b]quinazolin-1(2 H)-one (Q-NO2). In 1 M hydrochloric acid (HCl), −3,3-dimethyl-3,4,5,12-tetrahydrobenzo[4,5]imidazo[2,1-b]quinazolin-1(2 H)-one (Q-OMe) proved to be an extremely effective corrosion inhibitor for mild steel. The maximum inhibition efficiencies of 94.7 % for Q-NO2 and 96.7 % for Q-OMe were achieved when the performance of the inhibitors was evaluated using potentiodynamic polarization (PDP), electrochemical frequency modulation (EFM) and electrochemical impedance spectroscopy (EIS). According to these findings, the Q-NO2 and Q-OMe molecules have a remarkable ability to generate a dense, resistant protective film on the mild steel surface. This protective film acted as a barrier, effectively blocking the penetration of corrosive ions and their interaction with the mild steel substrate. The adsorption characteristics of these inhibitors on the mild steel surface conform to the Langmuir adsorption isotherm. PDP experiments show that Q-NO2 and Q-OMe act as mixed-type inhibitors for mild steel in 1.0 M HCl. Surface characterization by energy dispersive X-ray spectroscopy (EDS), Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM) determined that a protective layer had formed on the steel surface, preventing corrosion. The experimental results were corroborated by theoretical insights from density functional theory (DFT), which further clarified the molecular adsorption processes. This work highlights the potential of Q-NO2 and Q-OMe as effective inhibitors to protect mild steel in acidic situation.
本研究调查了两种新的喹唑啉衍生物,即 12-(4-甲氧基苯基)和 3,3-二甲基-12-(4-硝基苯基)-3,4,5,12-四氢苯并[4,5]咪唑并[2,1-b]喹唑啉-1(2 H)-酮 (Q-NO2)。在 1 M 盐酸(HCl)中,-3,3-二甲基-3,4,5,12-四氢苯并[4,5]咪唑并[2,1-b]喹唑啉-1(2 H)-酮(Q-OMe)被证明是一种极其有效的低碳钢缓蚀剂。在使用电位极化(PDP)、电化学频率调制(EFM)和电化学阻抗光谱(EIS)对抑制剂的性能进行评估时,Q-NO2 和 Q-OMe 的最大抑制效率分别达到 94.7% 和 96.7%。根据这些研究结果,Q-NO2 和 Q-OMe 分子具有在低碳钢表面生成一层致密、耐腐蚀保护膜的显著能力。这层保护膜就像一道屏障,有效地阻止了腐蚀性离子的渗透及其与低碳钢基体的相互作用。这些抑制剂在低碳钢表面的吸附特性符合 Langmuir 吸附等温线。PDP 实验表明,Q-NO2 和 Q-OMe 在 1.0 M HCl 溶液中对低碳钢起着混合型抑制作用。通过能量色散 X 射线光谱(EDS)、傅立叶变换红外光谱(FT-IR)和扫描电子显微镜(SEM)进行的表面表征确定,钢表面形成了保护层,从而防止了腐蚀。密度泛函理论(DFT)的理论见解证实了实验结果,进一步阐明了分子吸附过程。这项研究凸显了 Q-NO2 和 Q-OMe 作为有效抑制剂在酸性环境中保护低碳钢的潜力。
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引用次数: 0
The effect of Zn2+ on the positive electrolyte for all-vanadium redox flow battery Zn2+ 对全钒氧化还原液流电池正极电解质的影响
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-17 DOI: 10.1016/j.ijoes.2024.100801
Xiaolong Li , Yanfeng Liu , Heng Zuo , Yuehong Song , Fengying Chen

In this work, the effects of Zn2+ on the electrochemical activity of positive electrolyte were researched by cyclic voltammetry(CV), AC impedance. The results of CV showed that the positive electrolyte containing 2 wt% Zn2+ as additive had the best electrochemical activity. Compared with the electrolyte without any additive, the electrolyte with 2 wt% Zn2+ obviously enhanced electrochemical activity and reversibility of Farady reaction. In addition, the kinetic study of the mass transfer process indicated that the diffusion coefficient obviously increased. Besides, the results of electrochemical impedance spectroscopy implied that the internal charge transfer resistance of the electrolyte electrochemical system containing Zn2+ as an additive was significantly reduced. This indicated that the charge transfer was significantly accelerated, which was beneficial to the improvement of the electrochemical activity. Moreover, the study of the electrolyte stability showed that the electrolyte containing Zn2+ had superior stability yet after 30 cycles’ scanning.

本研究采用循环伏安法(CV)和交流阻抗法研究了 Zn2+ 对正极电解液电化学活性的影响。CV 结果表明,添加 2 wt% Zn2+ 的正极电解液的电化学活性最好。与不添加任何添加剂的电解液相比,添加 2 wt% Zn2+ 的电解液明显提高了电化学活性和 Farady 反应的可逆性。此外,传质过程的动力学研究表明,扩散系数明显增加。此外,电化学阻抗谱的结果表明,含有 Zn2+ 作为添加剂的电解质电化学体系的内部电荷转移电阻显著降低。这表明电荷转移明显加快,有利于提高电化学活性。此外,对电解液稳定性的研究表明,含 Zn2+ 的电解液在扫描 30 个周期后仍具有优异的稳定性。
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引用次数: 0
Comprehensive electrochemical and machine learning-based study of rancidity in four edible oils over various storage periods 基于电化学和机器学习的四种食用油不同储藏期酸败综合研究
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-17 DOI: 10.1016/j.ijoes.2024.100799
Song Wan , Lin Tang

This study investigates the rancidity development in four edible oils (corn, mustard, soybean, and sunflower) over a 12-month storage period using a novel approach combining electrochemical techniques and machine learning. Cyclic voltammetry, electrochemical impedance spectroscopy, and differential pulse voltammetry were employed to characterize oil oxidation. Electrochemical parameters showed strong correlations with traditional chemical indicators, such as the DPV peak current at +0.2 V with p-anisidine value (r = 0.94, p < 0.001). A Random Forest model, trained on electrochemical data, accurately predicted Total Oxidation (TOTOX) values, achieving an R² of 0.96 and RMSE of 2.18 for the test set. The model effectively captured oxidation trends across oil types, with the highest accuracy for mustard oil (MAE: 1.21) and lower performance for sunflower oil (MAE: 2.15). Feature importance analysis revealed charge transfer resistance and DPV peak currents as the most influential predictors. This approach offers rapid, non-destructive assessment of oil quality, potentially improving quality control in the food industry. However, challenges such as electrode fouling and complex sample preparation need to be addressed for practical implementation.

本研究采用电化学技术和机器学习相结合的新方法,研究了四种食用油(玉米油、芥末油、大豆油和葵花籽油)在 12 个月储存期间的酸败发展情况。采用循环伏安法、电化学阻抗光谱法和差分脉冲伏安法来描述油脂氧化的特征。电化学参数与传统的化学指标有很强的相关性,如 +0.2 V 的 DPV 峰值电流与对甲氧基苯胺值的相关性(r = 0.94,p <0.001)。根据电化学数据训练的随机森林模型可以准确预测总氧化值 (TOTOX),测试集的 R² 值为 0.96,RMSE 值为 2.18。该模型有效捕捉了各种油类的氧化趋势,其中芥子油的准确度最高(MAE:1.21),而葵花籽油的准确度较低(MAE:2.15)。特征重要性分析表明,电荷转移电阻和 DPV 峰值电流是最有影响力的预测因子。这种方法可对油的质量进行快速、无损的评估,有望改善食品行业的质量控制。不过,在实际应用中还需要解决电极堵塞和复杂的样品制备等难题。
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引用次数: 0
期刊
International Journal of Electrochemical Science
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