Theoretical Study of the Adsorption Behavior of L-amino Acids on the Iron Surface

Anton Kasprzhitskii; Georgy Lazorenko; Tatiana Nazdracheva; Victor Yavna

doi:10.20944/preprints202012.0365.v1

Preprint Communication Version 1 Preserved in Portico This version is not peer-reviewed

Version 1 : Received: 13 December 2020 / Approved: 15 December 2020 / Online: 15 December 2020 (10:09:29 CET)

This research evaluates the inhibitory effect of L-amino acids (AAs) with different side chain lengths on Fe surface implementing Monte Carlo (MC) simulation. A quantitative and qualitative description of the adsorption behavior of AAs on the iron surface has been carried out. Calculations have shown that the absolute values of the adsorption energy of L-amino acids increase with side chain prolongation; they are also determined by the presence of heteroatoms. AAs from nonpolar and basic groups have the best adsorption ability to the iron surface, which indicates their highest inhibitory efficiency according to the results of MC simulation.

corrosion; amino acids; inhibitors; steel; iron; Monte Carlo simulation

CHEMISTRY, Analytical Chemistry

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Theoretical Study of the Adsorption Behavior of L-amino Acids on the Iron Surface

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