Corrosion Reviews最新文献

Investigation of corrosion inhibition and adsorption properties of quinoxaline derivatives on metal surfaces through DFT and Monte Carlo simulations 通过 DFT 和蒙特卡罗模拟研究喹喔啉衍生物在金属表面的缓蚀和吸附特性

IF 2.7 4区材料科学

Corrosion Reviews Pub Date : 2024-07-19 DOI: 10.1515/corrrev-2024-0007

Y. H. Azeez, D. Mamand, R. Omer, A. H. Awla, Karzan A. Omar

{"title":"Investigation of corrosion inhibition and adsorption properties of quinoxaline derivatives on metal surfaces through DFT and Monte Carlo simulations","authors":"Y. H. Azeez, D. Mamand, R. Omer, A. H. Awla, Karzan A. Omar","doi":"10.1515/corrrev-2024-0007","DOIUrl":"https://doi.org/10.1515/corrrev-2024-0007","url":null,"abstract":"\u0000 This work presents a multiscale theoretical investigation into the potential of quinoxaline derivatives (Q1–Q6) as corrosion inhibitors for various metals (Fe(110), Cu(111), and Al(110)). Employing a combined approach combining density functional theory (DFT) and Monte Carlo simulations, we explore the relationship between molecular structure, electronic properties, and adsorption behavior. Density functional theory (DFT) and molecular dynamics simulations (MDS) were used to investigate the electronic characteristics of diverse compounds. The study included key parameters including highest occupied molecular orbital energy (E\u0000 HOMO), lowest unoccupied molecular orbital energy (E\u0000 LUMO), energy gap (E\u0000 g) between E\u0000 LUMO and E\u0000 HOMO, dipole moment, global hardness, softness (σ), ionization energy (I), electron affinity (A), electronegativity (χ), back-donation energy E\u0000 b−d, global electrophilicity (ω), electron transfer, global nucleophilicity (ε), and total energy (sum of electronic and zero-point energies). These properties, alongside adsorption energies (following the trend Q6 > Q2 > Q3 > Q4 > Q5 > Q1), are used to identify promising inhibitor candidates and establish structure–property relationships governing their effectiveness. The results suggest that inhibitor efficiency increases with a decreasing energy gap between frontier orbitals. Notably, the protonated state of Q6 exhibits high reactivity, low stability, and strong adsorption, making it a potential candidate for further exploration. This comprehensive theoretical approach offers crucial insights for the conceptual development of new and powerful corrosion inhibitors.","PeriodicalId":10721,"journal":{"name":"Corrosion Reviews","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141821755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Phytochemicals as eco-friendly corrosion inhibitors for mild steel in sulfuric acid solutions: a review 植物化学物质作为硫酸溶液中低碳钢的生态友好型缓蚀剂：综述

IF 2.7 4区材料科学

Corrosion Reviews Pub Date : 2024-07-18 DOI: 10.1515/corrrev-2024-0018

Shobhana Sharma, A. S. Solanki, A. Thakur, Ankit Sharma, Ashish Kumar, S. K. Sharma

{"title":"Phytochemicals as eco-friendly corrosion inhibitors for mild steel in sulfuric acid solutions: a review","authors":"Shobhana Sharma, A. S. Solanki, A. Thakur, Ankit Sharma, Ashish Kumar, S. K. Sharma","doi":"10.1515/corrrev-2024-0018","DOIUrl":"https://doi.org/10.1515/corrrev-2024-0018","url":null,"abstract":"\u0000 Plant extracts represent abundant sources of biomolecules distributed throughout various plant parts. These biomolecules are extracted using diverse solvents and methods. Within these plant extracts lie bioactive compounds, known for their antioxidant properties and anticorrosive capabilities. Detecting and isolating these active biomolecules from plant extracts necessitates analytical techniques such as gas chromatography-mass spectrometry and liquid chromatography-mass spectrometry. The active biomolecules within plant extracts contain heteroatoms within their structures, facilitating their adsorption on steel surfaces and conferring corrosion inhibition properties. The advantages of plant extracts as green corrosion inhibitors include ready availability, ease of application, eco-friendly characteristics, and cost-effectiveness. These extracts adhere to steel surfaces, blocking their active sites and effectively reducing the corrosion rate. This review consolidates the findings on the corrosion inhibition potential of plant extracts from various plant parts, elucidating their performance in different concentrations of sulfuric acid.","PeriodicalId":10721,"journal":{"name":"Corrosion Reviews","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141827220","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Corrosion mechanism of K411 superalloy in sulfur-containing environment: sulfidation promoting internal nitridation K411 超级合金在含硫环境中的腐蚀机理：硫化促进内部氮化

IF 2.7 4区材料科学

Corrosion Reviews Pub Date : 2024-07-18 DOI: 10.1515/corrrev-2024-0005

Ren Yu, Yao Wang, Lei Wang, Xiangwei Jiang, Jiasheng Dong

引用次数: 0

The impact of loading rate on chloride induced stress corrosion cracking of 304L stainless steel 加载速率对 304L 不锈钢氯化物应力腐蚀开裂的影响

IF 2.7 4区材料科学

Corrosion Reviews Pub Date : 2024-07-16 DOI: 10.1515/corrrev-2024-0051

Sarah M. Blust, James T. Burns

引用次数: 0

On relating quasi-static load threshold K1scc to K1c 关于准静态负载阈值 K1scc 与 K1c 的关系

IF 2.7 4区材料科学

Corrosion Reviews Pub Date : 2024-07-16 DOI: 10.1515/corrrev-2023-0144

A. Vasudevan, Daniel Kujawski, Ronald M. Latanision

引用次数: 0

On the role of surface stress in environment-assisted fracture 表面应力在环境辅助断裂中的作用

IF 2.7 4区材料科学

Corrosion Reviews Pub Date : 2024-07-12 DOI: 10.1515/corrrev-2024-0016

A. Udupa, D. Mohanty, Shatabdi Mallick, J. Mann, Ronald M. Latanision, Srinivasan Chandrasekar

{"title":"On the role of surface stress in environment-assisted fracture","authors":"A. Udupa, D. Mohanty, Shatabdi Mallick, J. Mann, Ronald M. Latanision, Srinivasan Chandrasekar","doi":"10.1515/corrrev-2024-0016","DOIUrl":"https://doi.org/10.1515/corrrev-2024-0016","url":null,"abstract":"\u0000 Environment effects in plasticity and fracture of metals, well studied for several decades, still pose many unanswered questions. A micro-mechanics explanation of how dislocation activity is influenced by the material surface state, that can answer these questions, has been elusive. We build on a recently discovered effect in metal cutting – organic monolayer embrittlement (OME) – wherein metal surfaces are rendered brittle by long-chain organic adsorbates, to explore how material state variables influence surface plasticity and fracture. In particular, cutting experiments with Al containing Self Assembled Monolayers (SAMs), show that the OME is controlled by surface stress (f) induced by the adsorbates. This is contrary to many instances of environment-assisted fracture which are usually attributed to surface energy changes, and wherein f is largely ignored. Other contributions include (a) a cantilever technique to measure surface stress, (b) demonstration of strong effect of SAM molecule chain length on f, (c) characterization of how dislocation activity at crack-tips is affected by adsorbate-induced f, and (d) large improvements in machining processes enabled by controlled environment-assisted fracture. We make the case that surface stress, due to adsorbates, likely influences all environmentally assisted cracking (EAC) phenomena, warranting a revisit of extant models of EAC.","PeriodicalId":10721,"journal":{"name":"Corrosion Reviews","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141655180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Crack initiation during environment-induced cracking of metals: current status 环境诱发金属开裂过程中的裂纹起始：现状

IF 2.7 4区材料科学

Corrosion Reviews Pub Date : 2024-07-05 DOI: 10.1515/corrrev-2024-0034

N. Holroyd, Timothy L. Burnett, John J. Lewandowski, Geoffrey M. Scamans

{"title":"Crack initiation during environment-induced cracking of metals: current status","authors":"N. Holroyd, Timothy L. Burnett, John J. Lewandowski, Geoffrey M. Scamans","doi":"10.1515/corrrev-2024-0034","DOIUrl":"https://doi.org/10.1515/corrrev-2024-0034","url":null,"abstract":"Abstract Environment-induced cracking (EIC) research spanning the last 80 years for ferrous and non-ferrous metals in aqueous environments at ambient and elevated temperatures has concentrated on crack propagation. Studies clearly reveal EIC involves two differentiable processes, one controlling initiation and the other propagation. Utilization of advanced high-resolution electron microscopy over the last 20 years has enabled more focused studies of crack initiation for stainless steel and nickel-based alloys at elevated temperatures exposed to environments associated with the nuclear industry. More recently, when coupled with advanced in-situ experimental techniques such as time-lapse X-ray computed 3D-tomography, progress has also been made for aluminum alloys suffering EIC at ambient temperatures. Conventional wisdom states that chemical processes are typically rate-controlling during EIC initiation. Additionally, experimental evidence based on primary creep exhaustion ahead of the introduction of an aggressive environment indicates that time-dependent mechanically-driven local microstructural strain accommodation processes (resembling creep-like behavior) often play an important role for many metals, even for temperatures as low as 40 % of their melting points (0.4 Tm). EIC studies reveal initial surface conditions and their associated immediate sub-surface alloy microstructures generated during creation (i.e. disturbed layers) can dictate whether or not EIC initiation occurs under mechanical loading conditions otherwise sufficient to enable initiation and growth. The plethora of quantitative experimental techniques now available to researchers should enable significant advances towards understanding EIC initiation.","PeriodicalId":10721,"journal":{"name":"Corrosion Reviews","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141675686","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Modeling hydrogen diffusion in precipitation hardened nickel-based alloy 718 by microstructural modeling 通过微观结构建模模拟沉淀硬化镍基合金 718 中的氢扩散

IF 3.2 4区材料科学

Corrosion Reviews Pub Date : 2024-06-04 DOI: 10.1515/corrrev-2024-0013

A. Arcari, M. Zikry, Patrick G. Callahan, Derek J. Horton, Muh-Jang Chen

{"title":"Modeling hydrogen diffusion in precipitation hardened nickel-based alloy 718 by microstructural modeling","authors":"A. Arcari, M. Zikry, Patrick G. Callahan, Derek J. Horton, Muh-Jang Chen","doi":"10.1515/corrrev-2024-0013","DOIUrl":"https://doi.org/10.1515/corrrev-2024-0013","url":null,"abstract":"\u0000 Environmentally assisted cracking can significantly affect the performance of high strength alloys and limit material selection to minimize the risk of subcritical crack growth in service. UNS N07718 is widely used in marine service applications and under a variety of conditions, such as: alternate immersion, different levels of cathodic protection, and freely corroding galvanic couples, because of its demonstrated corrosion and fracture resistance in these environments. In this work we developed a representative model of the material microstructure including the metal grains, the material texture, and the precipitates along the grain boundaries and within the grains. The microstructural model was subjected to the boundary conditions identified at the notch root of a fracture mechanics sample and the results are used as input for a simulation of hydrogen diffusion from the surface of the notch, assuming the material has been introduced to a hydrogen producing environment. The diffusion of hydrogen was modeled by Fick’s law and included both hydrostatic stress and mobile dislocation velocity as driving forces. The influence of immobile dislocations was also modeled to account for the irreversible trapping. The results show that hydrostatic stress and immobile dislocation trapping can significantly alter the highest concentration of hydrogen and its location within the microstructure towards the fracture process zone. Mobile dislocation velocity has a small influence in determining the hydrogen distribution near the fracture process zone.","PeriodicalId":10721,"journal":{"name":"Corrosion Reviews","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141267774","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Using a reverse life plot for estimating fatigue endurance/limit 使用反向寿命图估算疲劳耐久性/极限值

IF 3.2 4区材料科学

Corrosion Reviews Pub Date : 2024-05-20 DOI: 10.1515/corrrev-2023-0141

Daniel Kujawski, A. Vasudevan, Stefano Plano, D. Gabellone

引用次数: 0

Study on the preparation and anticorrosive performance of silica/modified kaolin/epoxy resin composite coating 二氧化硅/改性高岭土/环氧树脂复合涂层的制备和防腐性能研究

IF 3.2 4区材料科学

Corrosion Reviews Pub Date : 2024-05-10 DOI: 10.1515/corrrev-2023-0078

Jiaqi Xie, Jiajiao Wei, Renzhe Jin, Mengyuan He, Peng Zhu, Jianmeng Wu, Zhengyu Wei, Panfei Sun, Dehai Ping, Songjie Li

引用次数: 0