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DFT-Based Insight Into Rare-Earth Aluminum Oxides R3Al5O12 (R = Ce and Sm) as Promising Thermal Barrier Coating 基于dft的稀土铝氧化物R3Al5O12 (R = Ce和Sm)热障涂层研究
IF 2 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-08 DOI: 10.1002/maco.70004
Shabir Ali, Ali B. M. Ali, Xinhua Wang, Amjad Almunyif, Shakeel Shakeel, Shoira Formanova

The excellent thermal stability and mechanical strength of rare-earth aluminum oxides have garnered considerable interest as a potential thermal barrier coating (TBC) material. In this article, the structural, electronic, and thermal stability of R3Al5O12 (R = Ce and Sm) compounds were investigated using the full-potential linearized augmented plane wave (FP-LAPW) approach. The findings indicate that both compounds maintain structural stability under elevated pressure and temperature conditions. Furthermore, the electronic properties reveal that R3Al5O12 (R = Ce and Sm) compounds are metallic. The Gibbs2 code was implemented in WIEN2K software to investigate the thermodynamic behavior of R3Al5O12 (R = Ce and Sm) compounds under high-pressure and high-temperature conditions. The thermodynamic analysis indicates that Ce3Al5O12 exhibits higher structural stability under compressive conditions, making it suitable for high-pressure applications, while Sm3Al5O12 has higher entropy and lower Gibbs free energy, making it more suitable for high thermal load environments. The findings suggest that R3Al5O12 (R = Ce and Sm) compounds are the most appropriate candidates for the future TBC systems.

稀土铝氧化物具有优异的热稳定性和机械强度,作为一种潜在的热障涂层材料引起了人们的广泛关注。本文采用全电位线性化增强平面波(FP-LAPW)方法研究了R3Al5O12 (R = Ce和Sm)化合物的结构、电子和热稳定性。研究结果表明,这两种化合物在高压和高温条件下都保持结构稳定性。此外,电子性质表明R3Al5O12 (R = Ce和Sm)化合物具有金属性质。在WIEN2K软件中实现了Gibbs2代码,研究了R3Al5O12 (R = Ce和Sm)化合物在高压和高温条件下的热力学行为。热力学分析表明,Ce3Al5O12在压缩条件下具有较高的结构稳定性,适用于高压环境,而Sm3Al5O12具有较高的熵和较低的吉布斯自由能,更适用于高热负荷环境。研究结果表明,R3Al5O12 (R = Ce和Sm)化合物是未来TBC体系最合适的候选者。
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引用次数: 0
Experimental and Simulation Research on the Corrosion Behavior of Al2O3-SiO2-CaO Based Refractory in a Fluidized Bed Incinerator for High-Fluorine Hazardous Waste Al2O3-SiO2-CaO基耐火材料在高氟有害废物流化床焚烧炉中的腐蚀行为实验与模拟研究
IF 2 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-07 DOI: 10.1002/maco.70006
Bingyi Zhang, Peng Rui, Yang Wang, Xiaozhong Qian, Zengyi Ma, Jianhua Yan

In this study, experiments and simulations were conducted to investigate the corrosion mechanisms of refractory and the effects of various parameters on the extent of corrosion. The corrosion status of the refractory was assessed after 2 years of exposure to HF-containing flue gas using compressive strength tests, scanning electron microscopy, X-ray fluorescence, X-ray diffraction, and energy-dispersive spectroscopy. The corrosion mechanism of the silica–alumina-based refractory was also investigated. In addition, a cellular automaton model was developed to simulate the corrosion behavior of the refractory by focusing on the effects of the HF concentration, SiO2 content, gas diffusion probability, and SiO2 corrosion probability. A strong positive correlation was observed between these four factors and the extent of corrosion, with the SiO2 content and HF concentration having the most significant impact. This study provides a theoretical foundation and guidelines for mitigating refractory corrosion in HF-containing environments.

本文通过实验和模拟研究了耐火材料的腐蚀机理以及各种参数对腐蚀程度的影响。使用抗压强度测试、扫描电子显微镜、x射线荧光、x射线衍射和能量色散光谱对耐火材料暴露于含hf烟气2年后的腐蚀状况进行了评估。研究了硅铝基耐火材料的腐蚀机理。此外,通过研究HF浓度、SiO2含量、气体扩散概率和SiO2腐蚀概率的影响,建立了元胞自动机模型来模拟耐火材料的腐蚀行为。4个因素与腐蚀程度呈正相关,其中SiO2含量和HF浓度对腐蚀程度的影响最为显著。该研究为减轻含hf环境中耐火材料的腐蚀提供了理论基础和指导。
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引用次数: 0
Numerical Simulation of Cathodic Protection Potential for Metal Tank Bottoms Under Different Anode Types 不同阳极类型下金属罐底阴极保护电位的数值模拟
IF 2 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-06 DOI: 10.1002/maco.70008
Jie Kou, Linjun Wu, Zhe Ren, Wei Li

Applying cathodic protection to metal storage tanks prevents corrosion, with protection potential being key but prone to uneven distribution due to influencing factors. This study develops a mathematical model for tank bottoms and uses COMSOL to analyze potential distribution under different anode configurations. Results show ribbon/ring anodes offer superior, more uniform protection but demand higher construction standards. Shallow-buried anodes protect edges better than centers, while deep-well anodes outperform shallow-buried ones in effectiveness. The impact of coating on cathodic protection potential is also studied. Finally, hierarchical dynamic gray relational analysis and analytic hierarchy process quantify factor influences, providing theoretical guidance for optimizing cathodic protection system design.

金属储罐采用阴极保护可以防止腐蚀,保护电位是关键,但受各种因素的影响,容易出现分布不均匀的情况。本研究建立了罐底的数学模型,并利用COMSOL分析了不同阳极配置下的电位分布。结果表明,带状/环形阳极提供更好,更均匀的保护,但要求更高的施工标准。浅埋阳极对边缘的保护优于对中心的保护,深井阳极的保护效果优于浅埋阳极。研究了涂层对阴极保护电位的影响。最后,通过层次动态灰色关联分析和层次分析法对影响因素进行量化,为阴极保护系统的优化设计提供理论指导。
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引用次数: 0
Dissolution Behaviour of Nb-1Zr-0.1% C (PWC-11) Alloy in Lead-Bismuth Eutectic Solution Nb-1Zr-0.1% C (PWC-11)合金在铅铋共晶溶液中的溶解行为
IF 2 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-06 DOI: 10.1002/maco.70007
Santosh Kumar Gupta, Dilip Kumar Pratihar, Partha Saha

Oxidation/corrosion analysis of laser beam welded (LBW) Nb-1% Zr-0.1% C (PWC-11) alloy in contact with molten lead-bismuth eutectic (LBE) at 1100°C is yet to be reported. It aims to evaluate the suitability of this alloy as a structural material and address the possible reasons for material loss during this operation. Corrosion study of the weldment (WM) and parent metal (PM) was conducted at 1100°C in LBE solution. The increase in micro-hardness of WM, HAZ and PM can be attributed to the fraction of low-angle grain boundary, formation of βZr (bcc) phase, oxides of niobium and zirconium. βZr phase formation increases the susceptibility towards oxidation. The nitride and carbide phases of niobium and zirconium, and compressive residual stress, improve the resistance towards corrosion. The change in surface roughness of PM and WM was 0.139 and 0.149, respectively. The corrosion rates of HAZ, WM and PM were observed to be equal to 0.25, 0.12 and 0.07 mm/year, respectively. The weight loss%/yr in PM, WM and HAZ were 0.71%, 1.33% and 2.70%, respectively. PWC-11 is recommended as an architectural material for the coolant channels used in a compact high-temperature reactor.

激光焊接(LBW) Nb-1% Zr-0.1% C (PWC-11)合金与熔融铅铋共晶(LBE)在1100℃接触时的氧化/腐蚀分析尚未报道。其目的是评估该合金作为结构材料的适用性,并解决在此操作过程中材料损失的可能原因。在1100℃的LBE溶液中对焊件(WM)和母材(PM)进行了腐蚀研究。低角晶界的形成、βZr (bcc)相的形成、铌和锆的氧化物的形成是WM、HAZ和PM显微硬度提高的主要原因。βZr相的形成增加了对氧化的敏感性。铌和锆的氮化相和碳化物相以及残余压应力提高了材料的耐蚀性。PM和WM的表面粗糙度变化量分别为0.139和0.149。HAZ、WM和PM的腐蚀速率分别为0.25、0.12和0.07 mm/年。PM、WM和HAZ的失重率分别为0.71%、1.33%和2.70%。建议将PWC-11作为紧凑型高温反应堆冷却剂通道的建筑材料。
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引用次数: 0
Study of Manganese and Phosphoric Acid on Dimensionally Stable Anodes During Zinc Electrowinning 锌电积过程中锰和磷酸在尺寸稳定阳极上的研究
IF 2 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-01 DOI: 10.1002/maco.70003
Fusheng Liu, Dehao Cui, Wei Zhang, Georges Houlachi, Sanae Haskouri, Edward Ghali

During zinc electrowinning, the manganese oxide covers the surfaces of the dimensionally stable anodes (DSA) and decreases their electrocatalytic performance. Phosphoric acid is added into the zinc electrolyte to complex the manganic ion and hence reduce its disproportionation to MnO2. In the investigation, electrochemical measurements were carried out to examine electrochemical behavior of DSA (Ti/IrO2–Ta2O5) anode during zinc electrolysis at 48 mA.cm−2 and 39°C. It is observed that the anodic potentials of DSA anodes are much lower after 5 h polarization in the zinc electrolyte containing 35 mL.L−1 phosphoric acid at 39°C than that without phosphoric acid. Also, the current efficiencies increase after addition of phosphoric acid to the zinc electrolyte containing 9 g.L−1 Mn2+. Electrochemical noise and impedance measurements show that addition of 35 mL.L−1 H3PO4 to the zinc electrolyte increases the corrosion resistances during polarization. Addition of phosphoric acid to the zinc electrolytic can increase the oxidation peak by cyclic voltammetry study and improve the electrocatalytic behavior of DSA anodes.

在电积锌过程中,氧化锰覆盖在尺寸稳定阳极(DSA)表面,降低了其电催化性能。在锌电解液中加入磷酸,使锰离子络合,从而减少其歧化为二氧化锰。在研究中,电化学测量了DSA (Ti/ IrO2-Ta2O5)阳极在48 mA锌电解过程中的电化学行为。cm−2和39°C。结果表明,DSA阳极在35 mL锌电解液中极化5 h后,阳极电位明显降低。L−1磷酸在39℃时比不加磷酸时效果好。此外,在含9g锌电解质中加入磷酸后,电流效率也有所提高。L−1 Mn2 +。电化学噪声和阻抗测量表明加入35 mL。L−1 H3PO4加入锌电解液中,极化过程中抗腐蚀能力增强。循环伏安法研究表明,在锌电解液中加入磷酸可以提高氧化峰,改善DSA阳极的电催化性能。
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引用次数: 0
Effect of Plasma Electrolytic Oxidation on Corrosion Behaviour of Friction Stir Welded AA7075 Aluminium Alloy 等离子体电解氧化对搅拌摩擦焊AA7075铝合金腐蚀行为的影响
IF 2 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-06-23 DOI: 10.1002/maco.70002
P. Monish, K. L. Hari Krishna, S. R. Koteswara Rao, N. Sivashanmugam

Aluminium alloys (AA) are vital in emerging technologies for their high specific strength. AA7075 has limited corrosion resistance compared to other aluminium alloys and is unweldable by fusion methods. However, Friction Stir Welding (FSW) enables effective welding of AA7075. In this study, 10 mm-thick AA7075-T651 plates were welded using FSW with optimized parameters in a single pass. Mechanical testing and microstructural analysis confirmed sound welds with 74.8% joint efficiency. Plasma Electrolytic Oxidation (PEO) treatment was applied to both base metal and weld samples. Potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) tests on untreated samples showed the dynamically recrystallized weld nugget had better corrosion resistance than the base metal. PDP tests confirmed that PEO-treated base and weld samples had reduced corrosion rates and increased corrosion resistance, with corrosion current decreasing by 50% in base and 71% in weld, while polarization resistance increased by 350% and 239%, respectively. EIS analysis confirmed PDP results. Thus, PEO enhances the corrosion resistance of AA7075 FSW welds in corrosive environments.

铝合金(AA)因其高比强度在新兴技术中占有重要地位。与其他铝合金相比,AA7075具有有限的耐腐蚀性,并且不可用熔合方法焊接。然而,搅拌摩擦焊(FSW)能够有效焊接AA7075。在本研究中,采用优化参数的FSW单道焊接10 mm厚AA7075-T651板。力学试验和显微组织分析证实焊缝良好,接头效率为74.8%。采用等离子体电解氧化(PEO)处理母材和焊缝样品。动态极化电位(PDP)和电化学阻抗谱(EIS)测试表明,动态再结晶焊核比母材具有更好的耐蚀性。PDP测试证实,经peo处理的基材和焊缝样品降低了腐蚀速率,提高了耐腐蚀性,基材和焊缝的腐蚀电流分别降低了50%和71%,而极化电阻分别提高了350%和239%。EIS分析证实了PDP结果。因此,PEO提高了腐蚀环境下AA7075 FSW焊缝的耐腐蚀性。
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引用次数: 0
Corrosion Inhibition Property of Oleic Imidazoline to Under-Deposit Corrosion of X65 Steel in CO2 Environment 油基咪唑啉对CO2环境下X65钢沉积下腐蚀的缓蚀性能
IF 2 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-06-22 DOI: 10.1002/maco.12006
Linghao Jiang, Yuan Lu, Liangguang Deng, Chen Yang, Shuliang Wang, Chunyan Fu, Penghui Bai, Hu Wang, Juan Xie

In this paper, the investigation was carried out for the inhibition property of oleic imidazoline quaternary ammonia salt (OIM) as corrosion inhibitor for under-deposit corrosion (UDC) of X65 steel in CO2 corrosion environment. Weight loss and In Situ electrochemical measurements were used in an autoclave to study the corrosion behavior of UDC by adding corrosion inhibitor after immersion for a period (pre-corrosion). The results indicated that adding 50 mg/L of OIM corrosion inhibitor at the initial time (0 h) can achieve the best corrosion inhibition effect, with a corrosion inhibition efficiency of 90.3%. With the delay in OIM adding time, the corrosion inhibition effect gradually weakened. In Situ electrochemical results behaved similar to weight loss. The corrosion product layer displayed differently after 72 h corrosion, the condition of adding OIM at different moments. The surface roughness Ra increased with the delay of OIM adding moment, indicating an increase in UDC and reduced protectiveness of layer to the substrate metal. At last, the inhibition mechanism of OIM in the presence of corrosion product layer was proposed.

研究了油基咪唑啉季铵盐(OIM)在CO2腐蚀环境下对X65钢沉积下腐蚀(UDC)的缓蚀性能。失重和原位电化学测量在高压灭菌器中通过添加缓蚀剂(预腐蚀)在浸泡一段时间后研究UDC的腐蚀行为。结果表明,在初始时间(0 h)加入50 mg/L OIM缓蚀剂可达到最佳缓蚀效果,缓蚀效率为90.3%。随着OIM加入时间的延长,缓蚀效果逐渐减弱。原位电化学结果与失重过程相似。不同时刻添加OIM的条件下,腐蚀72 h后的腐蚀产物层呈现出不同的形貌。表面粗糙度Ra随OIM添加时刻的延迟而增大,表明UDC增加,层对基体金属的保护作用降低。最后,提出了OIM在腐蚀产物层存在下的缓蚀机理。
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引用次数: 0
Complete Construction and Research of CO2 Corrosion Prediction Model for a Gas Field Wellbore 气田井筒CO2腐蚀预测模型的完整构建与研究
IF 2 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-06-19 DOI: 10.1002/maco.202414736
Chengyin Jiang, Yuefei Ren, Libin Gao, Feifei Cao, Xingjun Chai, Yuan Li

This study focuses on the corrosion rate prediction of gas field wellbores. Considering the synergistic effect of corrosion factors such as multiphase flow, temperature, pressure, fluid velocity, pH value, microorganisms, and chloride ions, a CPD-well multiphase flow corrosion prediction model, which is based on Norsok M506 model, is constructed by utilizing the corresponding parameters of shut-in wells and production wells. The verification of the predicted corrosion rate is carried out based on MIT logging data of the gas wells. The results show that the determination coefficient R2 is between 84.6% and 92.1%. To validate the improved quality, a comparison is performed among the CPD-well, Norsok M506, and De Waard 95 model. Detailed discussions are provided in this study.

本研究以气田井筒腐蚀速率预测为重点。考虑多相流、温度、压力、流速、pH值、微生物、氯离子等腐蚀因素的协同作用,基于Norsok M506模型,利用关井和生产井的相应参数,构建了cpd井多相流腐蚀预测模型。根据气井的MIT测井资料,对预测的腐蚀速率进行了验证。结果表明,测定系数R2在84.6% ~ 92.1%之间。为了验证改进后的质量,对cpd井、Norsok M506和De Waard 95模型进行了比较。本研究提供了详细的讨论。
{"title":"Complete Construction and Research of CO2 Corrosion Prediction Model for a Gas Field Wellbore","authors":"Chengyin Jiang,&nbsp;Yuefei Ren,&nbsp;Libin Gao,&nbsp;Feifei Cao,&nbsp;Xingjun Chai,&nbsp;Yuan Li","doi":"10.1002/maco.202414736","DOIUrl":"https://doi.org/10.1002/maco.202414736","url":null,"abstract":"<div>\u0000 \u0000 <p>This study focuses on the corrosion rate prediction of gas field wellbores. Considering the synergistic effect of corrosion factors such as multiphase flow, temperature, pressure, fluid velocity, pH value, microorganisms, and chloride ions, a CPD-well multiphase flow corrosion prediction model, which is based on Norsok M506 model, is constructed by utilizing the corresponding parameters of shut-in wells and production wells. The verification of the predicted corrosion rate is carried out based on MIT logging data of the gas wells. The results show that the determination coefficient <i>R</i><sup>2</sup> is between 84.6% and 92.1%. To validate the improved quality, a comparison is performed among the CPD-well, Norsok M506, and De Waard 95 model. Detailed discussions are provided in this study.</p></div>","PeriodicalId":18225,"journal":{"name":"Materials and Corrosion-werkstoffe Und Korrosion","volume":"76 9","pages":"1342-1352"},"PeriodicalIF":2.0,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144935383","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
Carbon Fiber-Reinforced Resin Composite Coating for Inhibiting the Corrosion-Induced Leakage of Oil and Gas Pipelines 抑制油气管道腐蚀泄漏的碳纤维增强树脂复合涂层
IF 2 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-06-10 DOI: 10.1002/maco.12008
Huazhang Li, Hong Zhang, Yuhao Zhang, Jiliang Zhang, Chengbao Liu, Xiaoping Hu

The sustained growth of energy demands has driven unprecedented expansion in the oil and gas pipeline infrastructure development. However, prolonged operational durations coupled with increasingly hostile environmental conditions have precipitated significant corrosion-induced failures across aging pipeline systems. Conventional pipeline repair methodologies are confronted with challenges, including low efficiency and high cost, constraining their practical application. Herein, carbon fiber (CF)/epoxy composites coating was synthesized, which was employed to enhance the corrosion resistance of steel-based pipelines. Electrochemical impedance spectroscopy and salt spray tests demonstrated that the anticorrosion performance of epoxy coating has been greatly improved with the introduction of CF. Meanwhile, the tensile strength and impact resistance of the CF/epoxy composites coating were substantially improved. The enhancement mechanisms could be attributed to the CF mesh hindering the penetration of corrosive ions and the efficient stress transfer at the interface. The composite coating paves the way for its application in the field of rapid leakage plugging of pipelines.

能源需求的持续增长推动了油气管道基础设施建设的空前扩张。然而,随着作业时间的延长,加上环境条件的日益恶劣,老化的管道系统出现了严重的腐蚀故障。传统的管道修复方法面临着效率低、成本高的挑战,制约了其实际应用。本文合成了碳纤维/环氧复合涂层,用于提高钢基管道的耐腐蚀性。电化学阻抗谱和盐雾试验表明,CF的加入大大提高了环氧涂层的防腐性能,同时CF/环氧复合涂层的抗拉强度和抗冲击性能也得到了大幅度提高。这种增强机制可归因于CF网阻碍腐蚀离子的渗透和界面上有效的应力传递。该复合涂层为其在管道快速堵漏领域的应用铺平了道路。
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引用次数: 0
pH-Dependent Pitting Corrosion in Nickel Thin Films 镍薄膜的ph依赖性点蚀
IF 2 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-06-08 DOI: 10.1002/maco.12004
Ayron Andrey da Silva Lima, Duber M. Murillo, A. A. G. von Zuben, Richard Landers, Douglas S. Oliveira, Mônica A. Cotta

Nickel thin films are widely used in applications requiring corrosion resistance, but in chloride environments, localized breakdown of the passive layer can lead to pitting corrosion. This study investigates the pitting behavior of Ni thin films in chloride solutions with glycine and calcium ions as inhibitors, under varying pH. Oxygen plasma treatment induced surface defects that modulated pit density. At low pH, severe corrosion was observed, while higher pH led to passivation via nickel oxide and calcium carbonate formation. Microscopy and XPS analyses revealed pH-dependent changes in pit morphology and density. Under intermediate pH, localized redeposition of nickel was detected at pit centers, forming nanoscale features. Finite element simulations confirmed that pit geometry creates a chemical potential gradient driving inward metal flux. These results advance the understanding of pitting corrosion in nickel films and highlight the influence of pH, inhibitors, and surface condition on corrosion processes.

镍薄膜广泛应用于要求耐腐蚀的应用中,但在氯化物环境中,钝化层的局部击穿会导致点蚀。本研究以甘氨酸和钙离子为抑制剂,研究了不同ph值下镍薄膜在氯化物溶液中的点蚀行为。氧等离子体处理诱导表面缺陷,从而调节点蚀密度。在低pH下,观察到严重的腐蚀,而高pH会通过氧化镍和碳酸钙形成钝化。显微镜和XPS分析揭示了ph依赖性坑形态和密度的变化。在中等pH下,镍在坑中心局部再沉积,形成纳米尺度的特征。有限元模拟证实,坑的几何形状产生了一个化学势梯度,驱动向内的金属通量。这些结果促进了对镍膜点蚀的理解,并强调了pH值、抑制剂和表面条件对腐蚀过程的影响。
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引用次数: 0
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Materials and Corrosion-werkstoffe Und Korrosion
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