Publisher: Chemical Society of Nigeria

Experimental and Quantum Chemical Studies of The Corrosion Inhibition of Mild Steel In Acidic Media By Malachite Green Dye

C. K. Enenebaku, C. O. Akalezi, C. E. Ogukwe, E. E. Oguzie
KEYWORDS: Malachite green, corrosion inhibitor, molecular modeling, adsorption isotherm

ABSTRACT:

The inhibition performance of malachite green dye (MGD) on mild steel corrosion in 1.0 M HCl and 0.5 M H2SO4 solutions was tested by gravimetric technique in the temperature range 303-333 K. Results showed that MG inhibited the corrosion of mild steel in both acid media at all temperatures studied and inhibition efficiency increased with MGD concentration. The adsorption of the inhibitor on the mild steel surface in the acid media was found to obey Langmuir isotherm. Temperature studies revealed a reduction in inhibition efficiency with rise in temperature while corrosion activation energies were higher in the presence of the inhibitor. A modeling package employing molecular mechanics and molecular dynamics has been used to simulate the docking of a single molecule of MGD onto a clean iron (110) surface. The study suggests that molecular modeling and calculations can be used to predict the inhibition performance of compounds   


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