Corrosion mitigation performance of disodium EDTA functionalized chitosan biomacromolecule - Experimental and theoretical approach

Abstract

Disodium ethylenediaminetetraacetate salt is known for its excellent coordinating properties with the metal ions. The present study deals with the investigation of the prepared Disodium EDTA functionalized chitosan in corrosion inhibition for mild steel in 1 M HCl. The modified chitosan was characterized by spectral studies, thermal analysis, and Zeta potential studies. The corrosion inhibition efficiency (%) was evaluated using the gravimetric method and electrochemical studies. The electrochemical studies included potentiodynamic polarization, linear polarization resistance, and electrochemical impedance methods. The modified chitosan polymer showed an inhibition efficiency of 96.63% for 500 ppm at 303 K. Adsorption process obeyed Langmuir isotherm. Experimental results and theoretical calculations endorsed initial physisorption followed by a chemisorption process. Surface characterization studies supported the formation of a protective film that enabled the inhibition process. Density functional theory, Monte Carlo studies, and molecular dynamics simulation studies show a good agreement with the experimental results. Two-way Analysis of Variance was performed to test the influence of immersion period and inhibitor concentration on the corrosion rate using the statistical software IBM SPSS 20.0. A quartic model was generated as the best fit with the highest R2 value of 0.973. Design Expert software was employed for statistical modeling fit.

Keywords: Chitosan derivatives; Corrosion inhibitor; LPR method; Molecular dynamics simulation; Monte Carlo studies; Statistical modeling.