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

Wei Dai; Yu Ye Zhang

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

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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vols. 121-126Molecular Dynamics Simulation of the Adsorption...

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

Abstract:

Molecular dynamics simulation has been employed to investigate the adsorption behavior of glutamic acid and aspartic acid on Cu (001) surface, and the inhibition mechanism was also discussed. The results indicated that the two corrosion inhibitors could both adsorb on the Cu surface firmly due to the interaction between polar groups and surface. The two inhibitors both have excellent corrosion inhibition performance. However, the inhibition performance of glutamic acid is better than aspartic acid.

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Periodical:

Applied Mechanics and Materials (Volumes 121-126)

Pages:

226-230

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.121-126.226

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Online since:

October 2011

Authors:

Wei Dai, Yu Ye Zhang

Keywords:

Adsorption, Amino Acid, Corrosion Inhibitor, Molecular Dynamic (MD)

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