E. Ungureanu, Amalia Ștefaniu, R. Isopescu, Cornelia Musina, Magdalena-Rodica Bujduveanu, L. Jäntschi
Six derivatives of 4-(azulen-1-yl)-2,6-divinylpyridine were the subject of experimental determination of oxidation and reduction potentials being reported elsewhere. In this paper, a computational study was employed in order to obtain a function of structure for these potentials. The geometry was optimized at three theory levels (MMFF94, B3LYP and M06), and the following analysis was conducted with the separately saved optimum geometry in each instance. Two families of molecular descriptors (FMPI and EChP) were used to derive structure-based descriptors. Simple linear regressions were extracted with the best of descriptors for each family and level of theory for both potentials. The study revealed that the MMFF94 optimum geometries best explained the selected electrochemical properties. Furthermore, the EChP family of descriptors, much bigger than FMPI (about 64 times), was able to better explain the connection between the structure and the property. Once more, it has been shown that the eigenproblem has deep roots in structural chemistry.
{"title":"Extended characteristic polynomial estimating the electrochemical behaviour of some 4-(azulen-1-yl)-2,6-divinylpyridine derivatives","authors":"E. Ungureanu, Amalia Ștefaniu, R. Isopescu, Cornelia Musina, Magdalena-Rodica Bujduveanu, L. Jäntschi","doi":"10.5599/jese.2374","DOIUrl":"https://doi.org/10.5599/jese.2374","url":null,"abstract":"Six derivatives of 4-(azulen-1-yl)-2,6-divinylpyridine were the subject of experimental determination of oxidation and reduction potentials being reported elsewhere. In this paper, a computational study was employed in order to obtain a function of structure for these potentials. The geometry was optimized at three theory levels (MMFF94, B3LYP and M06), and the following analysis was conducted with the separately saved optimum geometry in each instance. Two families of molecular descriptors (FMPI and EChP) were used to derive structure-based descriptors. Simple linear regressions were extracted with the best of descriptors for each family and level of theory for both potentials. The study revealed that the MMFF94 optimum geometries best explained the selected electrochemical properties. Furthermore, the EChP family of descriptors, much bigger than FMPI (about 64 times), was able to better explain the connection between the structure and the property. Once more, it has been shown that the eigenproblem has deep roots in structural chemistry.","PeriodicalId":14819,"journal":{"name":"Journal of Electrochemical Science and Engineering","volume":"55 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141798826","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Reasonable design of electrode material with low cost, lightweight, and excellent electrochemical properties is of great significance for future large-scale energy storage applications. Herein, we report the electrochemical and supercapacitive behaviour of the liquid redox of catocene, 2,2’-bis(ethyl-ferroceneyl) propane, self-assembled on a basal plane pyrolitic graphite electrode in comparison to the solid ferrocene thin film in aqueous sodium sulfate electrolyte. The modified electrode surfaces were evaluated to assess the iron content and the formation of thin film using scanning electron microscopy, laser-induced breakdown spectroscopy, and attenuated total reflectance method. Also, the supercapacitive performances of the related modified electrodes were assessed and compared using cyclic voltammetry and galvanostatic charge-discharge in a three-electrode system and an asymmetric two-electrode supercapacitor system. Electrochemical results showed that the electrode processes are diffusion-controlled with battery-like behaviour, and the liquid catocene exhibits more effective interaction with the graphite surface in comparison to solid ferrocene. The catocene surface coverage on graphite is nearly 50-75 % higher than ferrocene, leading to improved interaction and charge transfer resistance, observed in electrochemical impedance spectroscopy studies. In galvanostatic charge-discharge evaluations, the supercapacitor based on catocene modified electrode shows a specific capacitance of 141.2 F g-1 at a current density of 1.0 A g-1, with a specific energy density of 56.7 Wh kg-1 at a power density of 2.9 kW kg-1.
合理设计成本低、重量轻、电化学性能优异的电极材料对未来大规模储能应用具有重要意义。在此，我们报告了自组装在基底面热罗石墨电极上的二茂铁（2,2'-双（乙基-二茂铁基）丙烷）液态氧化还原的电化学和超级电容行为，并与硫酸钠水溶液电解液中的固态二茂铁薄膜进行了比较。使用扫描电子显微镜、激光诱导击穿光谱法和衰减全反射法评估了改性电极表面的铁含量和薄膜的形成情况。此外，还在三电极系统和非对称双电极超级电容器系统中使用循环伏安法和电静态充放电法评估和比较了相关改性电极的超级电容器性能。电化学结果表明，电极过程受扩散控制，具有类似电池的行为，与固态二茂铁相比，液态二茂铁与石墨表面的相互作用更为有效。根据电化学阻抗谱研究的观察，二茂铁在石墨上的表面覆盖率比二茂铁高出近 50-75%，从而改善了相互作用和电荷转移电阻。在电静态充放电评估中，基于改性二茂铁电极的超级电容器在电流密度为 1.0 A g-1 时的比电容为 141.2 F g-1，在功率密度为 2.9 kW kg-1 时的比能量密度为 56.7 Wh kg-1。
{"title":"Supercapacitive performance of self-assembled thin film of liquid catocene/basal plane pyrolytic graphite electrode","authors":"S. Damiri, Zahra Samiei, H. Pouretedal","doi":"10.5599/jese.2330","DOIUrl":"https://doi.org/10.5599/jese.2330","url":null,"abstract":"Reasonable design of electrode material with low cost, lightweight, and excellent electrochemical properties is of great significance for future large-scale energy storage applications. Herein, we report the electrochemical and supercapacitive behaviour of the liquid redox of catocene, 2,2’-bis(ethyl-ferroceneyl) propane, self-assembled on a basal plane pyrolitic graphite electrode in comparison to the solid ferrocene thin film in aqueous sodium sulfate electrolyte. The modified electrode surfaces were evaluated to assess the iron content and the formation of thin film using scanning electron microscopy, laser-induced breakdown spectroscopy, and attenuated total reflectance method. Also, the supercapacitive performances of the related modified electrodes were assessed and compared using cyclic voltammetry and galvanostatic charge-discharge in a three-electrode system and an asymmetric two-electrode supercapacitor system. Electrochemical results showed that the electrode processes are diffusion-controlled with battery-like behaviour, and the liquid catocene exhibits more effective interaction with the graphite surface in comparison to solid ferrocene. The catocene surface coverage on graphite is nearly 50-75 % higher than ferrocene, leading to improved interaction and charge transfer resistance, observed in electrochemical impedance spectroscopy studies. In galvanostatic charge-discharge evaluations, the supercapacitor based on catocene modified electrode shows a specific capacitance of 141.2 F g-1 at a current density of 1.0 A g-1, with a specific energy density of 56.7 Wh kg-1 at a power density of 2.9 kW kg-1.","PeriodicalId":14819,"journal":{"name":"Journal of Electrochemical Science and Engineering","volume":"66 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141812716","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
José Dávila, Karin Paucar, Abel Vergara, I. Aoki, Keidy Cancino, Jesus Falcón
The aim of this work is to evaluate the performance of Bidens pilosa extract as a corrosion inhibitor for 1008 carbon steel in a neutral medium of 0.1 M NaCl. The research has been accomplished by weight loss measurements, linear polarization resistance (Rp) monitoring and electrochemical impedance spectroscopy (EIS). Phytochemical analysis and Fourier transform infrared spectroscopy were performed to determine bioactive components and detect the main functional groups of Bidens pilosa extract, respectively. The morphological characterization of the substrate was carried out by optical microscopy (OM). Different isotherms were evaluated to understand more clearly the adsorption mechanism of the inhibitor extract molecules on the surface of the 1008 carbon steel substrate, and the best fit was obtained for the Langmuir isotherm. The results showed that the corrosion rate decreased with an increase of the concentration of the inhibitor up to 1000 ppm, reaching a maximum efficiency value of 82.9 % from gravimetric tests, and 73.1 % from the fitting of EIS data to an equivalent electric circuit. The calculated thermodynamic parameters suggested the formation of a monolayer of inhibitor molecules on the metal surface. The ΔGoads value (-22.8 kJ mol-1) determined from the Langmuir isotherm model indicated that adsorption of the inhibitor molecules on the substrate surface follows a physisorption mechanism. This research revealed that Bidens pilosa extract can be used as a corrosion inhibitor and emerges as an alternative to replace synthetic corrosion inhibitors that are harmful to health and cause damage to the environment.
{"title":"Bidens pilosa extract as a corrosion inhibitor on 1008 carbon steel in neutral medium","authors":"José Dávila, Karin Paucar, Abel Vergara, I. Aoki, Keidy Cancino, Jesus Falcón","doi":"10.5599/jese.2331","DOIUrl":"https://doi.org/10.5599/jese.2331","url":null,"abstract":"The aim of this work is to evaluate the performance of Bidens pilosa extract as a corrosion inhibitor for 1008 carbon steel in a neutral medium of 0.1 M NaCl. The research has been accomplished by weight loss measurements, linear polarization resistance (Rp) monitoring and electrochemical impedance spectroscopy (EIS). Phytochemical analysis and Fourier transform infrared spectroscopy were performed to determine bioactive components and detect the main functional groups of Bidens pilosa extract, respectively. The morphological characterization of the substrate was carried out by optical microscopy (OM). Different isotherms were evaluated to understand more clearly the adsorption mechanism of the inhibitor extract molecules on the surface of the 1008 carbon steel substrate, and the best fit was obtained for the Langmuir isotherm. The results showed that the corrosion rate decreased with an increase of the concentration of the inhibitor up to 1000 ppm, reaching a maximum efficiency value of 82.9 % from gravimetric tests, and 73.1 % from the fitting of EIS data to an equivalent electric circuit. The calculated thermodynamic parameters suggested the formation of a monolayer of inhibitor molecules on the metal surface. The ΔGoads value (-22.8 kJ mol-1) determined from the Langmuir isotherm model indicated that adsorption of the inhibitor molecules on the substrate surface follows a physisorption mechanism. This research revealed that Bidens pilosa extract can be used as a corrosion inhibitor and emerges as an alternative to replace synthetic corrosion inhibitors that are harmful to health and cause damage to the environment.","PeriodicalId":14819,"journal":{"name":"Journal of Electrochemical Science and Engineering","volume":"104 23","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141812120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Understanding how to manage the hydrophilicity and hydrophobicity of a surface has been the focus of a lot of research in recent years. The surface's energy often controls its hydrophobic state. There are numerous techniques to realize a change in the surface energy. Smart nano-based materials are being used to create super hydrophobic coatings that will serve as layers of defence against mechanical abrasion, corrosion, and fouling agents on the surface of metallic components. These coatings, which have recently gained popularity, have shown to be excellent choices for protecting steel pipelines. The recently created super hydrophobic coatings for glass surfaces, papers, cotton, steel pipes, etc., are examined in-depth and critically in this review study, emphasizing their use in different industries. It explains how to create super hydrophobic coatings on glass substrates using various techniques and the most recent research results on various coating production techniques. An in-depth discussion is also given to the recent applications of these created super hydrophobic coatings for treatments, including anti-bio fouling, dicing, and corrosion prevention over the past five years. According to the literature, spraying is the most adaptable and popular technique for creating super hydrophobic coatings for any substrate.
{"title":"Zirconia based hydrophobic coatings exhibiting excellent durability for versatile use","authors":"Sanjay Kumar Awasthi, Kamal Sharma, Aayush Gupta","doi":"10.5599/jese.2259","DOIUrl":"https://doi.org/10.5599/jese.2259","url":null,"abstract":"Understanding how to manage the hydrophilicity and hydrophobicity of a surface has been the focus of a lot of research in recent years. The surface's energy often controls its hydrophobic state. There are numerous techniques to realize a change in the surface energy. Smart nano-based materials are being used to create super hydrophobic coatings that will serve as layers of defence against mechanical abrasion, corrosion, and fouling agents on the surface of metallic components. These coatings, which have recently gained popularity, have shown to be excellent choices for protecting steel pipelines. The recently created super hydrophobic coatings for glass surfaces, papers, cotton, steel pipes, etc., are examined in-depth and critically in this review study, emphasizing their use in different industries. It explains how to create super hydrophobic coatings on glass substrates using various techniques and the most recent research results on various coating production techniques. An in-depth discussion is also given to the recent applications of these created super hydrophobic coatings for treatments, including anti-bio fouling, dicing, and corrosion prevention over the past five years. According to the literature, spraying is the most adaptable and popular technique for creating super hydrophobic coatings for any substrate.","PeriodicalId":14819,"journal":{"name":"Journal of Electrochemical Science and Engineering","volume":"52 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141818065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Alketa Lame, Muhamed Farruku, E. Kokalari, K. Xhanari, Nensi Isak, K. Xhaxhiu, Alma Shehu
The corrosion inhibition performance of the walnut fruit (Juglans regia L.) septum alcoholic extract for Fe B500B steel bars in a mixed acidic solution (H2SO4/HCl) is reported. Weight loss, potentiodynamic polarization, and electrochemical impedance spectroscopy measurements were performed at 298 to 318 K, with the addition of various extract concentrations. Results showed the maximum corrosion inhibition efficiency of 86.99 % for 300 mg L-1 extract added. The extract acts as a mixed-type inhibitor, predominantly affecting the anodic side, following Flory-Hoggins adsorption isotherm. Thermodynamic analysis indicated an endothermic process with both chemisorption and physisorption on the steel bar surface. Surface characterization was conducted using ATR-FTIR, UV-vis and SEM techniques to prove the adsorption of the inhibitor molecules on the steel bar surface. Also, a possible adsorption mechanism of inhibitor molecules was proposed.
报告了核桃果（Juglans regia L.）隔膜酒精提取物在混合酸性溶液（H2SO4/HCl）中对铁 B500B 钢棒的缓蚀性能。在 298 至 318 K 的温度下，加入不同浓度的提取物，进行了失重、电位极化和电化学阻抗光谱测量。结果表明，添加 300 mg L-1 提取物时的最大缓蚀效率为 86.99%。根据弗洛里-霍金斯吸附等温线，萃取物是一种混合型抑制剂，主要影响阳极侧。热力学分析表明，钢棒表面同时存在化学吸附和物理吸附的内热过程。使用 ATR-FTIR、UV-vis 和 SEM 技术进行了表面表征，以证明钢棒表面对抑制剂分子的吸附。此外，还提出了抑制剂分子可能的吸附机制。
{"title":"Walnut (Juglans regia L.) fruit septum alcoholic extract as cor-rosion inhibitor for Fe B500B steel bars in mixed acidic solution","authors":"Alketa Lame, Muhamed Farruku, E. Kokalari, K. Xhanari, Nensi Isak, K. Xhaxhiu, Alma Shehu","doi":"10.5599/jese.2303","DOIUrl":"https://doi.org/10.5599/jese.2303","url":null,"abstract":"The corrosion inhibition performance of the walnut fruit (Juglans regia L.) septum alcoholic extract for Fe B500B steel bars in a mixed acidic solution (H2SO4/HCl) is reported. Weight loss, potentiodynamic polarization, and electrochemical impedance spectroscopy measurements were performed at 298 to 318 K, with the addition of various extract concentrations. Results showed the maximum corrosion inhibition efficiency of 86.99 % for 300 mg L-1 extract added. The extract acts as a mixed-type inhibitor, predominantly affecting the anodic side, following Flory-Hoggins adsorption isotherm. Thermodynamic analysis indicated an endothermic process with both chemisorption and physisorption on the steel bar surface. Surface characterization was conducted using ATR-FTIR, UV-vis and SEM techniques to prove the adsorption of the inhibitor molecules on the steel bar surface. Also, a possible adsorption mechanism of inhibitor molecules was proposed.","PeriodicalId":14819,"journal":{"name":"Journal of Electrochemical Science and Engineering","volume":" 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141831585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Due to shortening the duration of the process and possibility to obtain crystals of smaller and uniform size, microwave heating is considered an effective and promising tool for the synthesis of LiMn2O4, a valuable cathode material for lithium-ion batteries. However, electrochemical characteristics of LiMn2O4 obtained with its help are almost completely absent and do not allow for drawing a sound conclusion regarding advantages and drawbacks of microwave processing. Here we present a description of the microwave-assisted citric acid aided synthesis, characterization and electrochemical performance of LiMn2O4. The disclosure of detailed working protocols enabling one to manufacture samples tolerant to extremely high currents is the main novelty of this paper. Specifically, our material sustains current loads up to 40 C (5920 mA g-1) and completely recovers after cycling at harsh conditions.
由于微波加热缩短了工艺持续时间，并有可能获得尺寸更小、更均匀的晶体，因此被认为是合成锂离子电池阴极材料--锰酸锂的一种有效且前景广阔的工具。然而，在微波帮助下获得的锰酸锂的电化学特性几乎完全不存在，因此无法就微波处理的优点和缺点得出合理的结论。在此，我们介绍了微波辅助柠檬酸法合成锰酸锂的方法、锰酸锂的表征和电化学性能。本文的主要创新点在于披露了详细的工作方案，使人们能够制造出可承受极高电流的样品。具体来说，我们的材料可承受高达 40 C 的电流负载（5920 mA g-1），并在恶劣条件下循环后完全恢复。
{"title":"Optimal design of LiMn2O4 for high-rate applications by means of citric acid aided route and microwave heating","authors":"Yurii V. Shmatok, H. Potapenko, S.A. Kirillov","doi":"10.5599/jese.2253","DOIUrl":"https://doi.org/10.5599/jese.2253","url":null,"abstract":"Due to shortening the duration of the process and possibility to obtain crystals of smaller and uniform size, microwave heating is considered an effective and promising tool for the synthesis of LiMn2O4, a valuable cathode material for lithium-ion batteries. However, electrochemical characteristics of LiMn2O4 obtained with its help are almost completely absent and do not allow for drawing a sound conclusion regarding advantages and drawbacks of microwave processing. Here we present a description of the microwave-assisted citric acid aided synthesis, characterization and electrochemical performance of LiMn2O4. The disclosure of detailed working protocols enabling one to manufacture samples tolerant to extremely high currents is the main novelty of this paper. Specifically, our material sustains current loads up to 40 C (5920 mA g-1) and completely recovers after cycling at harsh conditions.","PeriodicalId":14819,"journal":{"name":"Journal of Electrochemical Science and Engineering","volume":"28 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141348635","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
L. Chahir, F. Benhiba, N. Abad, H. Zarrok, Ismail Warad, M. Al-Noaimi, D. Benmessaoud Left, Mustapha Zertoubi, M. Allali, A. Bellaouchou, Youssef Ramli, A. Zarrouk
In this work, the effect of a new quinoxaline derivative, 2-phenyl-3-(prop-2-yn-1-yloxy) quinoxaline (PYQX), was evaluated as a corrosion inhibitor for carbon steel (CS) in 1 M HCl electrolyte. Weight loss measurement, atomic absorption spectroscopy, potentiodynamic polarization, electrochemical impedance spectroscopy, scanning electron microscopy with energy dispersive spectroscopy, and UV-vis spectroscopy were employed to assess the inhibitory activity. The electronic properties of the interaction between the inhibitor molecule and the CS substrate were studied using molecular dynamics (MD) simulation, density functional theory (DFT), and Fukui functions. According to AC impedance experiments, the inhibitor under consideration showed a maximum level of 98.1 % inhibition efficiency at 1 mM and 30 °C. The Langmuir adsorption isotherm model explains the adsorption of PYQX on the CS surface. A slope of 1 denotes a strong molecule-substrate interaction, suggesting that the binding occurs at specific surface locations. To understand the functioning of the adsorption mechanism, various thermodynamic and activation parameters were evaluated. PDP tests demonstrated that PYQX functions as a mixed-type inhibitor. Computational correlations (DFT, MD, and Fukui indices) supported the experimental findings.
本研究评估了一种新的喹喔啉衍生物--2-苯基-3-（丙-2-炔-1-氧基）喹喔啉（PYQX）--在 1 M HCl 电解液中作为碳钢（CS）缓蚀剂的效果。采用了失重测量、原子吸收光谱、电位极化、电化学阻抗光谱、扫描电子显微镜与能量色散光谱以及紫外-可见光谱来评估其缓蚀活性。利用分子动力学（MD）模拟、密度泛函理论（DFT）和福井函数研究了抑制剂分子与 CS 底物之间相互作用的电子特性。根据交流阻抗实验，所研究的抑制剂在 1 mM 和 30 °C 时的抑制效率最高可达 98.1%。朗缪尔吸附等温线模型解释了PYQX 在 CS 表面的吸附情况。斜率为 1 表示分子与底物之间有很强的相互作用，表明结合发生在特定的表面位置。为了了解吸附机制的运作，对各种热力学和活化参数进行了评估。PDP 测试表明，PYQX 是一种混合型抑制剂。计算相关性（DFT、MD 和 Fukui 指数）支持了实验结果。
{"title":"Inhibition performance of a novel quinoxaline derivative for carbon steel corrosion in 1 M HCl","authors":"L. Chahir, F. Benhiba, N. Abad, H. Zarrok, Ismail Warad, M. Al-Noaimi, D. Benmessaoud Left, Mustapha Zertoubi, M. Allali, A. Bellaouchou, Youssef Ramli, A. Zarrouk","doi":"10.5599/jese.2177","DOIUrl":"https://doi.org/10.5599/jese.2177","url":null,"abstract":"In this work, the effect of a new quinoxaline derivative, 2-phenyl-3-(prop-2-yn-1-yloxy) quinoxaline (PYQX), was evaluated as a corrosion inhibitor for carbon steel (CS) in 1 M HCl electrolyte. Weight loss measurement, atomic absorption spectroscopy, potentiodynamic polarization, electrochemical impedance spectroscopy, scanning electron microscopy with energy dispersive spectroscopy, and UV-vis spectroscopy were employed to assess the inhibitory activity. The electronic properties of the interaction between the inhibitor molecule and the CS substrate were studied using molecular dynamics (MD) simulation, density functional theory (DFT), and Fukui functions. According to AC impedance experiments, the inhibitor under consideration showed a maximum level of 98.1 % inhibition efficiency at 1 mM and 30 °C. The Langmuir adsorption isotherm model explains the adsorption of PYQX on the CS surface. A slope of 1 denotes a strong molecule-substrate interaction, suggesting that the binding occurs at specific surface locations. To understand the functioning of the adsorption mechanism, various thermodynamic and activation parameters were evaluated. PDP tests demonstrated that PYQX functions as a mixed-type inhibitor. Computational correlations (DFT, MD, and Fukui indices) supported the experimental findings.","PeriodicalId":14819,"journal":{"name":"Journal of Electrochemical Science and Engineering","volume":"45 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140981159","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rajanna Lingappa, Tumakur Gangadhar Mamatha, MS Prabhuswamy, Vikrant Singh, A. Bansal
This study aims to fabricate WC-Co-Cr coatings on the solution-treated 21-4N steel utilizing high-velocity oxy-fuel (HVOF) and high-velocity air fuel (HVAF) techniques. The microstructure, hardness, surface quality, porosity, slurry erosion, and corrosion resistance of HVOF and HVAF coatings on solution-treated 21-4N steel were investigated and compared. The HVAF sprayed WC-Co-Cr coating exhibited dense structure, more hardness (1582 HV), greater fracture toughness (5.69 MPa m1/2), less decarburization, and lower porosity (0.97 %) as compared to HVOF sprayed coating. Further, slurry jet erosion tests and electrochemical corrosion tests provide a comprehensive evaluation of the coating’s performance under erosive and corrosive conditions. Eventually, the conclusive results of the study affirm the exceptional performance of the high-velocity air fuel sprayed WC-Co-Cr coating, demonstrating its superiority in both erosion and corrosion resistance compared to the high-velocity oxygen fuel sprayed coating.
{"title":"High-velocity oxy-fuel and high-velocity air fuel sprayed WC-Co-Cr coatings on solution-treated 21-4N steel for slurry and corrosion resistance","authors":"Rajanna Lingappa, Tumakur Gangadhar Mamatha, MS Prabhuswamy, Vikrant Singh, A. Bansal","doi":"10.5599/jese.2246","DOIUrl":"https://doi.org/10.5599/jese.2246","url":null,"abstract":"This study aims to fabricate WC-Co-Cr coatings on the solution-treated 21-4N steel utilizing high-velocity oxy-fuel (HVOF) and high-velocity air fuel (HVAF) techniques. The microstructure, hardness, surface quality, porosity, slurry erosion, and corrosion resistance of HVOF and HVAF coatings on solution-treated 21-4N steel were investigated and compared. The HVAF sprayed WC-Co-Cr coating exhibited dense structure, more hardness (1582 HV), greater fracture toughness (5.69 MPa m1/2), less decarburization, and lower porosity (0.97 %) as compared to HVOF sprayed coating. Further, slurry jet erosion tests and electrochemical corrosion tests provide a comprehensive evaluation of the coating’s performance under erosive and corrosive conditions. Eventually, the conclusive results of the study affirm the exceptional performance of the high-velocity air fuel sprayed WC-Co-Cr coating, demonstrating its superiority in both erosion and corrosion resistance compared to the high-velocity oxygen fuel sprayed coating.","PeriodicalId":14819,"journal":{"name":"Journal of Electrochemical Science and Engineering","volume":"9 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140668004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Asma Barrahi, M. El Faydy, L. Adlani, F. Benhiba, D. R. Bazanov, N. Lozinskaya, Mohamed Maatallah, Ismail Warad, B. Dikici, A. Bellaouchou, A. Zarrouk
The novelty of the work is to scrutinize for the first time the 4R,5S- 2,4,5-tris(4-ethoxyphenyl)-4,5-dihydro-1H-imidazole (TEPI) as a corrosion inhibitor for carbon steel (C35E) in the acidic medium. The inhibitory properties of TEPI were assessed through various methods, including electrochemical, spectroscopic, and surface analysis, as well as quantum chemical calculations. The protective effect of C35E was seen to expand as the TEPI amount was extended but to diminish as temperature was augmented, fulfilling 98.3 % at 1 mM under 303 K. Certain thermodynamic and kinetic indices were estimated and explored. The TEPI complied with the Langmuir adsorption isotherm when it adsorbs on the C35E surface. TEPI behaviour was revealed by polarization trials to be of mixed type. The establishment of an adsorption-linked preventive TEPI layer on the C35E surface has been disclosed thanks to surface analysis. The outcomes of scanning electron microscopy coupled with energy dispersive X-ray spectroscopy clearly illustrate that TEPI can efficiently adsorb at the C35E interface, substantially reducing C35E steel corrosion. UV-visible analysis of the inhibited electrolyte clearly reveals the complexation of iron cations with TEPI molecules. The density functional theory, Monte Carlo and molecular dynamic simulation were adopted to check out the adsorption characteristics of the TEPI onto C35E surface. The laboratory outcomes have been proven by DFT and MDS.
这项工作的新颖之处在于首次研究了 4R,5S- 2,4,5-三(4-乙氧基苯基)-4,5-二氢-1H-咪唑（TEPI）作为碳钢（C35E）在酸性介质中的缓蚀剂。通过电化学、光谱和表面分析以及量子化学计算等多种方法评估了 TEPI 的缓蚀特性。结果表明，随着 TEPI 用量的增加，C35E 的保护作用也在扩大，但随着温度的升高，其保护作用会减弱，在 303 K 条件下，1 mM 时的保护作用为 98.3%。当 TEPI 吸附在 C35E 表面时，符合朗穆尔吸附等温线。极化试验显示 TEPI 的行为属于混合型。表面分析表明，在 C35E 表面建立了吸附连接的预防性 TEPI 层。扫描电子显微镜和能量色散 X 射线光谱分析的结果清楚地表明，TEPI 可以有效地吸附在 C35E 接口上，从而大大减少了 C35E 钢的腐蚀。抑制电解液的紫外可见光分析清楚地揭示了铁阳离子与 TEPI 分子的络合。研究人员采用密度泛函理论、蒙特卡洛和分子动力学模拟来检验 TEPI 在 C35E 表面的吸附特性。DFT 和 MDS 验证了实验室的结果。
{"title":"Anticorrosive characteristics of imidazole derivative on carbon steel in 1 M HCl","authors":"Asma Barrahi, M. El Faydy, L. Adlani, F. Benhiba, D. R. Bazanov, N. Lozinskaya, Mohamed Maatallah, Ismail Warad, B. Dikici, A. Bellaouchou, A. Zarrouk","doi":"10.5599/jese.2136","DOIUrl":"https://doi.org/10.5599/jese.2136","url":null,"abstract":"The novelty of the work is to scrutinize for the first time the 4R,5S- 2,4,5-tris(4-ethoxyphenyl)-4,5-dihydro-1H-imidazole (TEPI) as a corrosion inhibitor for carbon steel (C35E) in the acidic medium. The inhibitory properties of TEPI were assessed through various methods, including electrochemical, spectroscopic, and surface analysis, as well as quantum chemical calculations. The protective effect of C35E was seen to expand as the TEPI amount was extended but to diminish as temperature was augmented, fulfilling 98.3 % at 1 mM under 303 K. Certain thermodynamic and kinetic indices were estimated and explored. The TEPI complied with the Langmuir adsorption isotherm when it adsorbs on the C35E surface. TEPI behaviour was revealed by polarization trials to be of mixed type. The establishment of an adsorption-linked preventive TEPI layer on the C35E surface has been disclosed thanks to surface analysis. The outcomes of scanning electron microscopy coupled with energy dispersive X-ray spectroscopy clearly illustrate that TEPI can efficiently adsorb at the C35E interface, substantially reducing C35E steel corrosion. UV-visible analysis of the inhibited electrolyte clearly reveals the complexation of iron cations with TEPI molecules. The density functional theory, Monte Carlo and molecular dynamic simulation were adopted to check out the adsorption characteristics of the TEPI onto C35E surface. The laboratory outcomes have been proven by DFT and MDS.","PeriodicalId":14819,"journal":{"name":"Journal of Electrochemical Science and Engineering","volume":"28 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140752726","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Roman Babchuk, Dmytro Uschapovskiy, Viktoria Vorobyova, O. Linyucheva, Mykhailo Kotyk, G. Vasyliev
The local deposition process from copper sulfate electrolyte was investigated depending on nozzle moving speed and additive concentration in the electrolyte. A 2×2 cm square model was created and sliced in Ultimaker Cura software, uploaded in a 3D printer, and printed from the copper electrolyte on the stainless-steel surface. Low additive concentration in the electrolyte was found to influence dendrite formation in the corner sections of a square model. Nozzle movement speed was found to influence the deposition area and the thickness of the metal. The lowest tested nozzle movement speed of 5 s / voxel increased the deposition area by nearly 40 % in horizontal direction compared to 2.5 s / voxel. Further increase of nozzle movement speed to 1.6 s / voxel does not change the deposition area. The thickness in the corners increases by 2.5 times compared to the straight section of the square when the nozzle movement speed increases from 5 to 1.6 s / voxel. The non-uniform thickness of the deposited metal is caused by a considerable reduction of nozzle movement speed when it moves through the corner. The results obtained in this work can be further used to develop electrochemical 3D printing technology.
{"title":"Additive concentration and nozzle moving speed influence on local copper deposition for electrochemical 3D-printing","authors":"Roman Babchuk, Dmytro Uschapovskiy, Viktoria Vorobyova, O. Linyucheva, Mykhailo Kotyk, G. Vasyliev","doi":"10.5599/jese.2291","DOIUrl":"https://doi.org/10.5599/jese.2291","url":null,"abstract":"The local deposition process from copper sulfate electrolyte was investigated depending on nozzle moving speed and additive concentration in the electrolyte. A 2×2 cm square model was created and sliced in Ultimaker Cura software, uploaded in a 3D printer, and printed from the copper electrolyte on the stainless-steel surface. Low additive concentration in the electrolyte was found to influence dendrite formation in the corner sections of a square model. Nozzle movement speed was found to influence the deposition area and the thickness of the metal. The lowest tested nozzle movement speed of 5 s / voxel increased the deposition area by nearly 40 % in horizontal direction compared to 2.5 s / voxel. Further increase of nozzle movement speed to 1.6 s / voxel does not change the deposition area. The thickness in the corners increases by 2.5 times compared to the straight section of the square when the nozzle movement speed increases from 5 to 1.6 s / voxel. The non-uniform thickness of the deposited metal is caused by a considerable reduction of nozzle movement speed when it moves through the corner. The results obtained in this work can be further used to develop electrochemical 3D printing technology.","PeriodicalId":14819,"journal":{"name":"Journal of Electrochemical Science and Engineering","volume":" 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140383782","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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