Experimental and computational studies on heterocyclic organic compounds as corrosion inhibitors for copper immersed in O/W emulsion medium

Abstract

PurposeCorrosion inhibitors for copper immersed in emulsion were investigated by experiments and theoretical calculations, and this study aims to propose a new inhibition mechanism of the inhibitors having protective effects for copper corrosion.Design/methodology/approachAdsorption behavior of penta-heterocycles (thiophene, 1,2,5-oxadiazole, furan, 2 H-1,2,3-triazole, pyrrole and 1,2,5-thiadiazole) as corrosion inhibitors for copper immersed in oil-in-water (O/W) emulsions was investigated by weight loss, electrochemical tests, morphological characterization and theoretical calculations.FindingsThe orders of inhibition effect are furan < pyrrole < thiophene < 1,2,5-oxadiazole < 2H-1,2,3-triazole < 1,2,5-thiadiazole, and 1,2,5-thiadiazole at 0.5 mM has the best inhibition effect for copper immersed in emulsion. The results of scanning probe microscope, scanning electron microscope and electrochemical test show that a protective barrier can be formed on the surface of copper substrate with six corrosion inhibitors, thus effectively inhibiting the corrosion of copper mainly through chemisorption and following Langmuir’s adsorption isotherm.Originality/valueQuantum chemical and molecular dynamic simulations demonstrate that all these compounds attached to Cu matrix with a flat-adsorption mode to prevent the emulsion corrode copper. Adsorbed inhibitors act as a barrier at Cu matrix to block corrosion and improve hydrophobicity.