Monte Carlo simulations of corrosion inhibition of copper by two Schiff bases

Abstract

Atomistic modelling and simulations are becoming increasingly important in the field of corrosion inhibition. In this work, Monte Carlo simulations technique incorporating molecular mechanics and molecular dynamics was used to simulate the adsorption of two Schiff base derivatives, namely 4-(4-aminostyryl)-N,N-dimethyl aniline (AND) and 2-((4-(4-(dimethyl amino) story) phenyl imino) methyl) (DSM), on the copper surface. Our results indicate that both compounds are potential corrosion inhibitors for copper, and the inhibition efficiency of DSM is better than AND.