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Model-free detection and quantitative assessment of micro short circuits in lithium-ion battery packs based on incremental capacity and unsupervised clustering 基于增量容量和无监督聚类的锂离子电池组微短路无模型检测和定量评估
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-17 DOI: 10.1016/j.ijoes.2024.100794
Da Lei , Meng Zhang , Qiang Guo , Yibin Gao , Zhigang Bai , Qi Yang , Ke Fu , Chao Lyu

Timely diagnosis of micro short circuit (MSC) faults is crucial for ensuring the safe operation of lithium-ion battery energy storage systems. Existing diagnostic methods face limitations such as high dependency on battery models, difficulty in determining accurate diagnostic thresholds, or low computational efficiency. This work presents a model-free approach for the detection and quantitative assessment of MSCs in lithium-ion battery packs, with incremental capacity (IC) and unsupervised clustering. First, the IC is extracted from charging voltage data to effectively characterize MSC faults in lithium-ion batteries. Next, principal component analysis is used to map the high-dimensional feature space onto a two-dimensional plane to facilitate fault detection and result visualization. Then, an unsupervised clustering algorithm is employed for anomaly detection to identify MSC cells within the battery pack. For the detected MSC cells, a method based on the maximum charging voltage difference between adjacent cycles is designed to estimate the MSC resistance, quantitatively assessing the severity and evolution stage of the MSC. Experimental results show that the accuracy of MSC detection is 99.17 % and the minimum relative error of short-circuit resistance estimation is 1.20 %, which demonstrates the effectiveness and feasibility of the proposed method.

及时诊断微短路(MSC)故障对于确保锂离子电池储能系统的安全运行至关重要。现有的诊断方法存在一些局限性,如高度依赖电池模型、难以确定准确的诊断阈值或计算效率低。本研究提出了一种无模型方法,利用增量容量(IC)和无监督聚类来检测和定量评估锂离子电池组中的间充质干细胞。首先,从充电电压数据中提取增量容量,以有效描述锂离子电池中的 MSC 故障。然后,利用主成分分析法将高维特征空间映射到二维平面上,以方便故障检测和结果可视化。然后,采用无监督聚类算法进行异常检测,以识别电池组中的 MSC 电池。对于检测到的间隙电池,设计了一种基于相邻循环之间最大充电电压差的方法来估算间隙电池电阻,从而定量评估间隙电池的严重程度和演变阶段。实验结果表明,MSC 检测的准确率为 99.17%,短路电阻估算的最小相对误差为 1.20%,证明了所提方法的有效性和可行性。
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引用次数: 0
Novel electrochromic-supercapacitor device based on P(TPACz)/WO3-PDA nanocomposite film 基于 P(TPACz)/WO3-PDA 纳米复合薄膜的新型电致变色超级电容器装置
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-16 DOI: 10.1016/j.ijoes.2024.100798
Xiangyu Yin , Pengna Wang , Shengqing Zheng

Organic–inorganic composites of (E)-3,5-di(9 H-carbazol-9-yl)-N-(4-(diphenylamino)benzylidene)aniline/dopamine-modified WO3 (P(TPACz)/WO3-PDA) were prepared by electrochemical polymerisation. The as-prepared P(TPACz)/WO3-PDA composites showed good electrochromic and electrochemical performance. The prominent electrochemical performance of P(TPACz)/WO3-PDA represents a high areal capacitance (32.15 mF cm−2 at 0.1 mA cm−2) and wide range of potential windows (-2.0−1.6 V). Additionally, symmetric supercapacitor devices based on P(TPACz)/WO3-PDA composite films were successfully constructed, which exhibited a high specific capacitance (13.88 mF cm−2 at 0.02 mA cm−2) and an energy density of 7.71 × 10−3 mWh cm−2 in n-doped station. The remarkable electrochromic and electrochemical performances are due to the synergy between the organic polymer and WO3-PDA. A complete large-area composite film structure with high conductivity promises fast electronic transport. This study provides a method for preparing multifunctional composite electrode materials, offering technical support for intelligent displays and energy storage technologies.

通过电化学聚合法制备了(E)-3,5-二(9 H-咔唑-9-基)-N-(4-(二苯基氨基)苯亚甲基)苯胺/多巴胺改性 WO3(P(TPACz)/WO3-PDA)的有机-无机复合材料。制备的 P(TPACz)/WO3-PDA 复合材料具有良好的电致变色和电化学性能。P(TPACz)/WO3-PDA 的突出电化学性能表现为高电容(0.1 mA cm-2 时为 32.15 mF cm-2)和宽电位窗口(-2.0-1.6 V)。此外,还成功构建了基于 P(TPACz)/WO3-PDA 复合薄膜的对称超级电容器器件,在正掺杂电站中表现出较高的比电容(0.02 mA cm-2 时为 13.88 mF cm-2)和 7.71 × 10-3 mWh cm-2 的能量密度。出色的电致变色和电化学性能得益于有机聚合物和 WO3-PDA 之间的协同作用。具有高导电性的完整大面积复合薄膜结构有望实现快速电子传输。这项研究为制备多功能复合电极材料提供了一种方法,为智能显示和储能技术提供了技术支持。
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引用次数: 0
Eupatorium adenophorum Spreng root extract as an efficient inhibitor for the corrosion of steel in sulfamic acid solution 作为氨基磺酸溶液中钢材腐蚀的高效抑制剂的大戟科植物根提取物
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-15 DOI: 10.1016/j.ijoes.2024.100790
Huifang Yang , Shuduan Deng , Xianghong Li

Eupatorium adenophorum Spreng root extract (EASRE) was prepared using a reflux extraction method with 40 % ethanol (C2H5OH) as the extractant solvent. The corrosion inhibitory impact of EASRE on cold rolled steel (CRS) in 0.10 M sulfamic acid (NH2SO3H) solution was explored through gravimetric tests, potentiodynamic polarization curves, and electrochemical impedance spectroscopy (EIS) methods. Metallographic microscopy (MM), scanning electron microscopy (SEM), atomic force microscopy (AFM), and confocal laser scanning microscopy (CLSM) were employed to examine the micrographs of CRS specimens. The adsorbed chemical substances on the inhibited CRS surface were examined via X-ray photoemission spectroscopy (XPS). And the main chemical constituents of EASRE were analysed by high performance liquid chromatography-mass spectrometry (HPLC-MS). The results of the study showed that EASRE at a concentration of 500 mg L−1 in 0.10 M NH2SO3H at 30 °C for 12 h had a significant inhibitory effect on CRS, with a maximum inhibitory efficiency of 89.7 %. At all set temperatures, the adsorption of EASRE onto CRS surface adheres to Langmuir isotherm. EASRE functions as a mixed-type inhibitor through a “geometric covering effect”. EIS show that the addition of EASRE significantly improves the charge transfer resistance at the steel/sulfamic acid interface, and the charge transfer resistance increases with increasing inhibitor concentration. XPS analysis confirm the presence of a “protective film” generated by EASRE on the CRS surface, and it consists of O-H, N-H, C-O, C-H, CC, CN, CO. Microscopic graphs of MM, SEM, AFM and CLSM reveal that EASRE efficiently alleviates the corrosion on the CRS surface. The HPLC-MS suggest that the main components of EASRE are flavonoids and phenylpropanoid compounds.

以 40% 的乙醇(C2H5OH)为萃取溶剂,采用回流提取法制备了大戟科植物大戟(Eupatorium adenophorum Spreng)的根提取物(EASRE)。通过重量测试、电位极化曲线和电化学阻抗光谱(EIS)方法,探讨了 EASRE 在 0.10 M 氨基磺酸(NH2SO3H)溶液中对冷轧钢(CRS)的缓蚀作用。金相显微镜 (MM)、扫描电子显微镜 (SEM)、原子力显微镜 (AFM) 和共聚焦激光扫描显微镜 (CLSM) 被用来检查 CRS 试样的显微照片。通过 X 射线光发射光谱(XPS)检测了被抑制的 CRS 表面吸附的化学物质。高效液相色谱-质谱法(HPLC-MS)分析了 EASRE 的主要化学成分。研究结果表明,在 0.10 M NH2SO3H 中,浓度为 500 mg L-1 的 EASRE 在 30 °C、12 h 的条件下对 CRS 有显著的抑制作用,最大抑制效率为 89.7 %。在所有设定温度下,EASRE 在 CRS 表面的吸附都符合 Langmuir 等温线。EASRE 通过 "几何覆盖效应 "发挥了混合型抑制剂的作用。EIS 显示,加入 EASRE 后,钢/氨基磺酸界面的电荷转移阻力明显改善,且电荷转移阻力随抑制剂浓度的增加而增大。XPS 分析证实了 EASRE 在 CRS 表面产生的 "保护膜 "的存在,它由 O-H、N-H、C-O、C-H、CC、CN、CO 组成。MM、SEM、AFM 和 CLSM 等显微镜图显示,EASRE 能有效缓解 CRS 表面的腐蚀。高效液相色谱-质谱分析表明,EASRE 的主要成分是黄酮类和苯丙类化合物。
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引用次数: 0
A novel electrochemical sensor based on aspartic acid polymer and carbonized-ZIF-67 for rapid sensing of arbutin 基于天冬氨酸聚合物和碳化-ZIF-67 的新型电化学传感器,用于快速检测熊果苷
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-14 DOI: 10.1016/j.ijoes.2024.100800
Jiang Pei , Wang Haibo , Fan Chenli , Zhang Xiaomi , Huo Tiantian , Xu Yiwei

A novel electrochemical sensor modified by aspartic acid polymer and carbonized-ZIF-67 was prepared for arbutin detection. ZIF-67 was synthesized and carbonized, and then used as the substrate supporting of electrochemical sensor. Carbonized-ZIF-67 had a large specific surface and good electrical conductivity, which provided large electroactive area and promoted the electron transfer at the sensing interface. Aspartic acid polymer was prepared by cyclic voltammetry. Aspartic acid polymer could effectively absorb arbutin, resulting in the preconcentration of arbutin on sensor surface. Benefiting from the synergistic effect between carbonized-ZIF-67 and aspartic acid polymer, the prepared electrochemical sensor exhibited sensitive electrochemical response for arbutin. Under the optimum conditions, the electrochemical sensor achieved a wide linear range in the range from 5 to 110 μmol/L and a low detection limit of 0.41 μmol/L for arbutin. In practical application, the electrochemical sensor was employed to detect arbutin in green tea and whitening cream samples, exhibiting satisfactory recovery rates. With the outstanding features of easy operation, rapid response and high sensitivity, the prepared electrochemical sensor provided a convenient and effective tool for arbutin detection.

制备了一种由天冬氨酸聚合物和碳化 ZIF-67 改性的新型电化学传感器,用于检测熊果苷。ZIF-67经合成和碳化后用作电化学传感器的支撑基底。碳化 ZIF-67 具有较大的比表面和良好的导电性,可提供较大的电活性面积,促进传感界面的电子转移。天冬氨酸聚合物是通过循环伏安法制备的。天冬氨酸聚合物能有效吸收熊果苷,从而在传感器表面预富集熊果苷。得益于碳化-ZIF-67 和天冬氨酸聚合物之间的协同效应,所制备的电化学传感器对熊果苷表现出灵敏的电化学响应。在最佳条件下,该电化学传感器对熊果苷的线性范围为 5 至 110 μmol/L,检出限低至 0.41 μmol/L。在实际应用中,该电化学传感器被用来检测绿茶和美白霜样品中的熊果苷,回收率令人满意。所制备的电化学传感器具有操作简便、响应迅速、灵敏度高等突出特点,为熊果苷的检测提供了一种方便有效的工具。
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引用次数: 0
Effect of adsorption of two green biopolymers on the corrosion of aluminum in 1.0 M NaCl solution: Physicochemical, spectroscopic, surface and quantum chemical exploration 两种绿色生物聚合物的吸附对 1.0 M NaCl 溶液中铝腐蚀的影响:物理化学、光谱、表面和量子化学探索
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-14 DOI: 10.1016/j.ijoes.2024.100791
Arafat Toghan , AbdulAziz A. Alayyafi , Hanan Alhussain , Magdi E.A. Zaki , Mahmoud Khodari , Nada Alqarni , Emad M. Masoud , Ahmed M. Eldesoky , Ahmed A. Farag , Ahmed Fawzy

Although aluminum is an extremely versatile material and can be manufactured and used for a wide range of industrial purposes, it has a limited resistance to corrosion. Hence, the efficacy of two linear biopolymers, keratan (Ker) and chitosan (Chi), was explored, for the first time, as ecologically safe metallic corrosion inhibitors (CIs) for Al in 1.0 M NaCl solution at different temperatures. For performing this study, several experimental and theoretical methods were applied. By combining these methods, it was confirmed that the investigated biopolymers were set to be effective inhibitors for Al corrosion in 1.0 M NaCl solution. Using a 500 mg/L dose of CIs, inhibition efficiencies (% IEs) of 92.7 % and 86.4 % were achieved for Ker and Chi, respectively, indicating their strong adsorption on the metal surface. Thermodynamic and kinetic investigations signified that the adsorption was founed to be physical and obeyed the Langmuir isotherm. The kinetics and mechanism of Al corrosion as well as its inhibition by the tested biopolymers were inspected. The results demonstrated that these biopolymers behaved as mixed-type and interface-type inhibitors. To investigate the inhibition mechanism, theoretical quantum chemical methods were also applied. The experimental investigations were validated by theoretical computations.

虽然铝是一种用途极为广泛的材料,可以制造并用于多种工业用途,但它的耐腐蚀性却很有限。因此,我们首次探索了两种线性生物聚合物--角叉菜胶(Ker)和壳聚糖(Chi)--在不同温度下作为铝在 1.0 M NaCl 溶液中的生态安全金属缓蚀剂(CIs)的功效。这项研究采用了多种实验和理论方法。综合这些方法,可以确认所研究的生物聚合物是 1.0 M NaCl 溶液中有效的铝腐蚀抑制剂。在使用 500 mg/L 剂量的 CIs 时,Ker 和 Chi 的抑制效率(% IEs)分别达到 92.7% 和 86.4%,这表明它们在金属表面具有很强的吸附性。热力学和动力学研究表明,这种吸附是物理吸附,符合 Langmuir 等温线。研究还考察了铝腐蚀的动力学和机理,以及受试生物聚合物对铝腐蚀的抑制作用。结果表明,这些生物聚合物表现为混合型和界面型抑制剂。为了研究其抑制机理,还应用了量子化学理论方法。理论计算验证了实验研究结果。
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引用次数: 0
Novel sensitive electrochemical detection of paracetamol using magnetite/MXene electrode by differential pulse voltammetry 利用磁铁矿/MXene 电极通过差分脉冲伏安法检测扑热息痛的新型灵敏电化学方法
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-13 DOI: 10.1016/j.ijoes.2024.100797
Amal M. Alkhudaydi , Basel A. Samy , Ekram Y. Danish , Eder Claudio Lima , M.A. Gabal , Mohamed Abdel Salam

In this research work, a novel electrochemical sensor-based Fe3O4/Ti3C2 MXene @ glassy carbon electrode (GCE) for the detection of paracetamol was prepared by simple ultrasonic method by combining Ti3C2 MXene and Fe3O4 nanoparticles. The Fe3O4/Ti3C2 MXene nanomaterial was characterized by the means of different techniques: X-ray diffraction (XRD), transmission and scanning electron microscopy (TEM), nitrogen adsorption/desorption isotherms, as well as Fourier transform infrared spectroscopy (FTIR). The characterization results revealed the homogenous distribution of the prepared cubic Fe3O4 NPs within the prepared two-dimensional layered Ti3C2 MXene. The Fe3O4/Ti3C2 MXene @ GCE was used for the sensitive determination of the well-known analgesic drug paracetamol by differential pulse voltammetry (DPV). The prepared Fe3O4/Ti3C2 MXene @ GCE was characterized electrochemically, and the results showed that Fe3O4/Ti3C2 MXene @ GCE is a potential working electrode for the sensitive detection of paracetamol with very low detection limit (0.63 nM), within a linear dynamic range of 0.0–110.0 µM, high reproducibility and repeatability; with a very low relative standard deviation (SD%) for 7 days measurement (3.07–3.42 %), accuracy with a SD% of 0.89, high precision of 99.48 % in distilled water and 98.51 % in sea water. The proposed electroanalytical method was applied for the detection and quantification of paracetamol in real water samples, as well as different analgesic medical formulations, and the results showed outstanding accuracy and precision indicating the suitability of the Fe3O4/Ti3C2 MXene @ GCE electrode for the sensitive, accurate determination of paracetamol in diferrent matrices.

在这项研究工作中,通过简单的超声波方法,将 Ti3C2 MXene 和 Fe3O4 纳米粒子结合在一起,制备了一种新型的基于 Fe3O4/Ti3C2 MXene @ 玻璃碳电极(GCE)的电化学传感器,用于检测扑热息痛。通过不同的技术对 Fe3O4/Ti3C2 MXene 纳米材料进行了表征:X 射线衍射 (XRD)、透射和扫描电子显微镜 (TEM)、氮吸附/解吸等温线以及傅立叶变换红外光谱 (FTIR)。表征结果表明,制备的立方体 Fe3O4 NPs 在制备的二维层状 Ti3C2 MXene 中均匀分布。利用微分脉冲伏安法(DPV),Fe3O4/Ti3C2 MXene @ GCE 被用于灵敏地测定众所周知的镇痛药扑热息痛。对制备的 Fe3O4/Ti3C2 MXene @ GCE 进行了电化学表征,结果表明,Fe3O4/Ti3C2 MXene @ GCE 是灵敏检测扑热息痛的潜在工作电极,其检测限非常低(0.63 nM),线性动态范围为 0.0-110.0 µM,重现性和重复性高;7 天测量的相对标准偏差 (SD%) 很低(3.07-3.42%),准确度 SD% 为 0.89,在蒸馏水中的准确度为 99.48%,在海水中的准确度为 98.51%。结果表明,Fe3O4/Ti3C2 MXene @ GCE 电极适用于灵敏、准确地测定不同基质中的扑热息痛。
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引用次数: 0
The study of multiphysics field coupling and thermal stress in three types of Solid Oxide Electrolysis Cells (SOEC) 三种固体氧化物电解槽(SOEC)中的多物理场耦合和热应力研究
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-12 DOI: 10.1016/j.ijoes.2024.100789
Yachao Tu , Jin Chai , Shian Li , Fang Han , Zhonggang Zhang , Weiqiang Cai

Solid Oxide Electrolysis Cell (SOEC) technology emerges as a promising method for hydrogen production. In this study, a 3D geometric and mathematical model for a planar cathode-supported SOEC is established. The developed model is validated in agreement with the experimental data obtained at same conditions. Three different channel types (square, trapezoidal, and rectangular) are simulated and compared in terms of cell overall performance and various transport phenomena occurred inside the SOEC. Local distribution of gas concentrations of reactants and products, temperature, current density, and thermal stress under different channel types are predicted and presented. The findings reveal that the fuel utilization efficiency of the rectangular channel is approximately 6.77 % and 22.68 % higher than that of the square and trapezoidal channels, respectively. The maximum temperature value of the counter-flow arrangement in the rectangular channel is around 20 K lower than that of the co-flow arrangement. When the cathode inlet volume flow rate is around 10 sccm, the fuel utilization efficiency of the electrolysis cell reaches its maximum, with a value 60 % higher than that at a cathode inlet volume flow rate of 50 sccm. However, the thermal stress distribution uniformity of the rectangular channel is not as good as that of the square and trapezoidal channels, and the trapezoidal channel exhibits the most uniform stress distribution at the electrolyte among the three-channel types.

固体氧化物电解池(SOEC)技术是一种前景广阔的制氢方法。本研究建立了平面阴极支撑 SOEC 的三维几何和数学模型。所建立的模型与在相同条件下获得的实验数据进行了验证。模拟了三种不同类型的通道(正方形、梯形和矩形),并就电池的整体性能和 SOEC 内部发生的各种传输现象进行了比较。预测并展示了不同通道类型下反应物和生成物的气体浓度、温度、电流密度和热应力的局部分布。研究结果表明,矩形通道的燃料利用效率比正方形和梯形通道分别高出约 6.77 % 和 22.68 %。矩形通道中逆流布置的最高温度值比同流布置低 20 K 左右。当阴极入口体积流量约为 10 sccm 时,电解槽的燃料利用效率达到最大值,比阴极入口体积流量为 50 sccm 时高 60%。不过,矩形通道的热应力分布均匀性不如方形和梯形通道,而梯形通道在三通道类型中电解质处的应力分布最为均匀。
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引用次数: 0
Mechanical energy harvesting: Advancements in piezoelectric nanogenerators 机械能采集:压电纳米发电机的进展
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-11 DOI: 10.1016/j.ijoes.2024.100793
Dongfang Yang , Aoxing Sun , Yuanyuan Pan , Kai Wang

As science and technology grow at a rapid pace and human civilization progresses, portable microelectronic gadgets are becoming more and more commonplace. The energy sources of these devices have become a popular research. The most common and most available form of energy in the environment is mechanical energy derived from vibrations. The available energy density for random vibrations with frequencies ranging from hundreds of hertz to kHz is a few hundred microwatts to milliwatts per cubic centimeter. Therefore, how to capture this energy for battery charging, power supply for electronic devices, and remote/wireless sensing has become an important and novel research direction. Using nanoscale mechanical energy harvesting to power small circuits and create self-powered electronic devices has enormous potential, of which piezoelectric nanogenerators (PENGs) are widely studied. Piezoelectric nanogenerators, which use nanometer-scale piezoelectric materials to transforming arbitrary mechanical energy into electrical energy, are a rapidly emerging product category. They can produce sustained electrical energy and are more environmentally benign than chemical batteries. The concept and evolution of piezoelectric materials are first presented in this paper. Next, the structure and operation of a piezoelectric nanogenerator are explained. Lastly, the development trend of converting mechanical energy produced by drum vibration into electrical energy is combined.

随着科学技术的飞速发展和人类文明的不断进步,便携式微电子小工具越来越普及。这些设备的能源已成为一项热门研究。环境中最常见、最易获得的能量形式是来自振动的机械能。频率从几百赫兹到几千赫兹的随机振动的可用能量密度为每立方厘米几百微瓦到几毫瓦。因此,如何获取这些能量用于电池充电、电子设备供电和远程/无线传感已成为一个重要而新颖的研究方向。利用纳米级机械能采集为小型电路供电和制造自供电电子设备具有巨大潜力,其中压电纳米发电机(PENGs)被广泛研究。压电纳米发电机利用纳米级压电材料将任意机械能转化为电能,是一种迅速崛起的产品类别。它们可以产生持续的电能,而且比化学电池更环保。本文首先介绍了压电材料的概念和演变。其次,介绍了压电纳米发电机的结构和工作原理。最后,结合了将鼓振动产生的机械能转化为电能的发展趋势。
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引用次数: 0
Comprehensive assessment of the corrosion inhibition properties of quinazoline derivatives on mild steel in 1.0 M HCl solution: An electrochemical, surface analysis, and computational study 全面评估喹唑啉衍生物在 1.0 M HCl 溶液中对低碳钢的缓蚀特性:电化学、表面分析和计算研究
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-10 DOI: 10.1016/j.ijoes.2024.100788
Zakia Aribou , Moussa Ouakki , Fatima El Hajri , Elhachmia Ech-chihbi , Issam Saber , Zakaria Benzekri , Said Boukhris , Mohammad K. Al-Sadoon , Mouhsine Galai , Jama Charafeddine , Mohamed Ebn Touhami

The efficacy of two compounds, namely 12-(4-chlorophenyl)-3,3-dimethyl-3,4,5,12-tetrahydrobenzo[4,5] imidazo[2,1-b]quinazolin-1(2H)-one (Q-Cl) and 3,3-dimethyl-12-phenyl-3,4,5,12-tetrahydrobenzo[4,5]imidazo[2,1-b]quinazolin-1(2H)-one (Q-H), in inhibiting corrosion on mild steel in 1.0 M hydrochloric acid was evaluated. Surface analytical techniques and electrochemical procedures were employed for examination. The results demonstrated that both Q-Cl and Q-H significantly inhibit corrosion. Specifically, Q-Cl achieved an inhibition efficiency of 85.2 % at a concentration of 10⁻³ M, while Q-H exhibited a higher inhibition efficiency of 91.5 %. Electrochemical investigations suggested that both Q-Cl and Q-H acted as inhibitors of mixed-type corrosion. These chemicals efficiently prevented metal corrosion through adsorption, conforming to Langmuir's adsorption isotherm model. The adsorption mechanism of corrosion inhibition was further supported by surface investigations and scanning electron microscopy-energy-dispersive X-ray spectroscopy (SEM-EDX). Additionally, Density Functional Theory (DFT) and other computational approaches were employed to study the anti-corrosion mechanism of Q-Cl and Q-H. These simulations yielded theoretical results that aligned with the preceding experimental findings.

评估了 12-(4-氯苯基)-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(2H)-酮(Q-Cl)和 3,3-二甲基-12-苯基-3,4,5,12-四氢苯并[4,5]咪唑并[2,1-b]喹唑啉-1(2H)-酮(Q-H)这两种化合物在 1.0 M 盐酸中对低碳钢的腐蚀抑制作用进行了评估。研究采用了表面分析技术和电化学程序。结果表明,Q-Cl 和 Q-H 都能显著抑制腐蚀。具体来说,Q-Cl 在浓度为 10-³ M 时的抑制效率为 85.2%,而 Q-H 的抑制效率更高,达到 91.5%。电化学研究表明,Q-Cl 和 Q-H 都是混合型腐蚀的抑制剂。这些化学物质通过吸附作用有效地阻止了金属腐蚀,符合朗缪尔吸附等温线模型。表面研究和扫描电子显微镜-能量色散 X 射线光谱(SEM-EDX)进一步证实了吸附缓蚀机理。此外,还采用了密度泛函理论(DFT)和其他计算方法来研究 Q-Cl 和 Q-H 的抗腐蚀机理。这些模拟得出的理论结果与之前的实验结果一致。
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引用次数: 0
Effect of CO2 deficiency on the performance of membrane electrode CO2 electrolyzer 二氧化碳缺乏对膜电极二氧化碳电解槽性能的影响
IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2024-09-10 DOI: 10.1016/j.ijoes.2024.100792
Xianwen Zhang , Feiyue Cao , Hao Peng , Yaoyi Cao , Qingxin Liu , Chizhou Tang , Taotao Zhou

To mitigate greenhouse effects, carbon dioxide reduction reaction (CO2RR) has been used as an efficient means of carbon reduction. In CO2 electrolyzer, CO2 deficiency can happen and degrade the reaction efficiency. Herein, an efficient and long-lived formic acid three-cell electrolyzer is used to study the effect of CO2 deficiency, by operating the electrolyzer from full CO2 supply to CO2 deficiency. In addition, the effects of various CO2 fluxes and concentrations on the electrolyzer current, acid concentration and lifetime are investigated. This study quantitatively reveals the impact of CO2 deficiency on current density, product selectivity, and electrolyzer lifetime. The findings indicate that current density decreases by 12.74 %, while CO2 conversion efficiency drops by 92.5 %, demonstrating a significant reduction in the reactivity of CO2 conversion to formate ions. Conversely, the hydrogen evolution reaction is enhanced. Prolonged CO2 deficiency (below 13 ml/min) can also lead to catalyst degradation, including separation and dissolution within the cathode catalyst layer, ultimately diminishing overall performance. Compared with the CO2 flux, the CO2 concentration exerts a more pronounced influence. To ensure the electrolysis efficiency, the carbon dioxide concentration should not be less than 80 %.

为减轻温室效应,二氧化碳还原反应(CO2RR)已被用作一种有效的减碳手段。在二氧化碳电解槽中,二氧化碳缺乏会降低反应效率。在此,我们使用一个高效、长寿命的甲酸三电池电解槽,通过电解槽从完全二氧化碳供应到二氧化碳缺乏的运行过程,来研究二氧化碳缺乏的影响。此外,还研究了各种二氧化碳通量和浓度对电解槽电流、酸浓度和寿命的影响。这项研究定量揭示了二氧化碳缺乏对电流密度、产品选择性和电解槽寿命的影响。研究结果表明,电流密度降低了 12.74%,而二氧化碳转化效率降低了 92.5%,这表明二氧化碳转化为甲酸根离子的反应活性显著降低。相反,氢进化反应却增强了。长期缺乏二氧化碳(低于 13 毫升/分钟)也会导致催化剂降解,包括阴极催化剂层内的分离和溶解,最终降低整体性能。与二氧化碳通量相比,二氧化碳浓度的影响更为明显。为确保电解效率,二氧化碳浓度不应低于 80%。
{"title":"Effect of CO2 deficiency on the performance of membrane electrode CO2 electrolyzer","authors":"Xianwen Zhang ,&nbsp;Feiyue Cao ,&nbsp;Hao Peng ,&nbsp;Yaoyi Cao ,&nbsp;Qingxin Liu ,&nbsp;Chizhou Tang ,&nbsp;Taotao Zhou","doi":"10.1016/j.ijoes.2024.100792","DOIUrl":"10.1016/j.ijoes.2024.100792","url":null,"abstract":"<div><p>To mitigate greenhouse effects, carbon dioxide reduction reaction (CO<sub>2</sub>RR) has been used as an efficient means of carbon reduction. In CO<sub>2</sub> electrolyzer, CO<sub>2</sub> deficiency can happen and degrade the reaction efficiency. Herein, an efficient and long-lived formic acid three-cell electrolyzer is used to study the effect of CO<sub>2</sub> deficiency, by operating the electrolyzer from full CO<sub>2</sub> supply to CO<sub>2</sub> deficiency. In addition, the effects of various CO<sub>2</sub> fluxes and concentrations on the electrolyzer current, acid concentration and lifetime are investigated. This study quantitatively reveals the impact of CO<sub>2</sub> deficiency on current density, product selectivity, and electrolyzer lifetime. The findings indicate that current density decreases by 12.74 %, while CO<sub>2</sub> conversion efficiency drops by 92.5 %, demonstrating a significant reduction in the reactivity of CO<sub>2</sub> conversion to formate ions. Conversely, the hydrogen evolution reaction is enhanced. Prolonged CO<sub>2</sub> deficiency (below 13 ml/min) can also lead to catalyst degradation, including separation and dissolution within the cathode catalyst layer, ultimately diminishing overall performance. Compared with the CO<sub>2</sub> flux, the CO<sub>2</sub> concentration exerts a more pronounced influence. To ensure the electrolysis efficiency, the carbon dioxide concentration should not be less than 80 %.</p></div>","PeriodicalId":13872,"journal":{"name":"International Journal of Electrochemical Science","volume":"19 10","pages":"Article 100792"},"PeriodicalIF":1.3,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S145239812400333X/pdfft?md5=6abb8e2ac1c117d46ef6e7ff83bc1e2e&pid=1-s2.0-S145239812400333X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142168751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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International Journal of Electrochemical Science
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