Molecular Dynamics Simulation of the Adsorption Behavior of Amino Acid Corrosion Inhibitor on Cu (001) Surface
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.
Dongye Sun, Wen-Pei Sung and Ran Chen
W. Dai and Y. Y. Zhang, "Molecular Dynamics Simulation of the Adsorption Behavior of Amino Acid Corrosion Inhibitor on Cu (001) Surface", Applied Mechanics and Materials, Vols. 121-126, pp. 226-230, 2012