Molecular Dynamics Simulation of the Adsorption Behavior of Amino Acid Corrosion Inhibitor on Cu (001) Surface

Dai, Wei; Zhang, Yu Ye

doi:10.4028/www.scientific.net/amm.121-126.226

Cited by 3 publications

(2 citation statements)

References 7 publications

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“…At the same time, amino acids, as metal corrosion inhibitors, are commonly used as corrosion inhibitors for various metals such as iron, copper, and aluminum [3] . Dai [31] and others used MD simulation to study the adsorption behavior of aspartic acid and glutamic acid on copper surfaces, and the results showed that glutamic acid had better performance. Kumar [32] and others used DFT calculations to study the corrosion inhibition behavior of four corrosion inhibitor molecules, including glutamic acid, to clarify their mechanisms of action.…”

Section: Introductionmentioning

confidence: 99%

Investigation of the Inhibition Mechanism of Organic Corrosion Inhibitors on the Copper Surface by DFT study and MD simulations

et al. 2023

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Supports of the National Natural Science Foundation of China (21908017 and 21902021), the Undergraduate Innovation and Entrepreneurship Training Program Dalian University of Technology (20211014110934), the Foundation of State Key Laboratory of High‐efficiency Utilization of Coal and Green Chemical Engineering (2022‐K70), the Fundamental Research Funds for the Central Universities (DUT22LK09), the Open Foundation of Key Laboratory of Industrial Ecology and Environmental Engineering, MOE (KLIEEE‐20‐01, KLIEEE‐21‐02), and the Hefei Advanced Computing Center for this work are gratefully acknowledged.

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Section: Introductionmentioning

confidence: 99%

Investigation of the Inhibition Mechanism of Organic Corrosion Inhibitors on the Copper Surface by DFT study and MD simulations

et al. 2023

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“…The extent of inhibition was determined by the type and concentration of amino acid used. Work by Dai et al reported that glutamic acid and aspartic acid could inhibit corrosion on copper by adsorption onto the surface through their polar sites (39). Furthermore, glutamic acid has been shown to coordinate with metals by means of its two carboxyl groups and in turn, inhibit corrosion on steel.…”

Section: Corrosion Inhibitorsmentioning

confidence: 99%

The Performance of Novel Cr(III) Based Coatings for Packaging Steel

Bluett

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The main driver for this thesis was the understanding of the mechanisms involved in the corrosion of novel trivalent chromium coatings for packaging steels and comparison with traditional materials, namely electro chromium coated steel (ECCS).Tata Steel are currently developing trivalent chromium coated technology steel (TCCT) as a replacement for ECCS in steel packaging applications. ECCS offers excellent corrosion resistance when used in conjunction with a polymer overcoat. The understanding of corrosion performance of the novel TCCT when overcoated with an organic coating is currently limited. Thus, this work utilised experimental procedures to help understand the mechanism behind two forms of corrosion-driven organic coating failure; filiform corrosion and corrosion-driven cathodic delamination. In turn, this work also aimed to identify, and supply the steel industry with evidence of the TCCT coating weights that are important for optimum resistance to organic coating failure.Increasing the Cr (III) oxide coating weight led to an improvement in corrosion performance with regards to both filiform corrosion and cathodic delamination, with a Cr (III) oxide coating weight of approximately 7 mg.m -2 providing impressive corrosion resistance, comparable to that of the current standard, ECCS. The increased presence of defects on TCCT samples with lower Cr (III) oxide coating weights, as well as the impressive insulating properties of Cr (III) oxide, were thought to be contributing factors to the improved corrosion resistance observed with increasing coating weight.Furthermore, a lab-scale TCCT electroplating line was successfully replicated in the Swansea labs. Varying parameters including current density and temperature had a profound effect on the amount of Cr deposited. Hydrogen evolution was proposed to be one of the reasons for this variance in deposit.IV

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Development of Sustainable Inhibitors for Corrosion Control

et al. 2022

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Metal degradation due to corrosion is a major challenge in most industries, and its control and prevention has to maintain a balance between efficiency and cost-effectiveness. The rising concern over environmental damage has greatly influenced this domain, as corrosion prevention should comply with the waste regulations of different regions. In this respect, a fundamental question is which modern synthetic materials are more viable from the point of view of their effectiveness. Therefore, this paper is aims to provide an advanced and holistic review of corrosion prevention and control methods. Corrosion prevention techniques have become extensive; however, the literature indicates that polymer coatings, nano-composite coatings, and encapsulation techniques consistently provide the most efficient and feasible outcomes. Therefore, this review article examined the phenomenon of corrosion inhibition mainly from the perspective of these three techniques. Moreover, this research utilized secondary qualitative methods to obtain data and information on comparative techniques. It is found that due to the rapid development of novel materials, corrosion inhibition techniques need to be developed on scales that are more general, so that they could be applied to varying environments. The self-healing coatings are generally based on epoxy-resins incorporated with synthetic compounds such as inhibitor ions, amino-acids, or carboxylic acids. These coatings have become more widespread, especially due to bans on several traditional prevention materials such as compounds of chromium (VI). However, self-healing coatings are comparatively more costly than other techniques because of their method of synthesis and long-term durability. Therefore, although self-healing nanomaterial-based coatings are viable options for limited usage, their utilization in large and complex facilities is limited due to the costs involved. Amino acids and other biological macro-molecules provide another option to attain environmental sustainability and long durability, especially due to their origins being most of naturally occurring compounds such as lignin, cellulose, and proteins.

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Molecular Dynamics Simulation of the Adsorption Behavior of Amino Acid Corrosion Inhibitor on Cu (001) Surface

Cited by 3 publications

References 7 publications

Investigation of the Inhibition Mechanism of Organic Corrosion Inhibitors on the Copper Surface by DFT study and MD simulations

Investigation of the Inhibition Mechanism of Organic Corrosion Inhibitors on the Copper Surface by DFT study and MD simulations

The Performance of Novel Cr(III) Based Coatings for Packaging Steel

Development of Sustainable Inhibitors for Corrosion Control

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