An exploratory assessment supported by experimental and modeling approaches for dinitrophenylhydrazine compound as a potent corrosion inhibitor for carbon steel in sulfuric acid solution

Abstract

Comprehensive electrochemical and theoretical investigations were conducted to assess the effectiveness of 2, 4-Dinitrophenylhydrazine (DNPH) as a corrosion inhibitor for carbon steel (CS) immersed in a 0.5 M H2SO4 solution. The results demonstrated significant corrosion inhibition efficiency of DNPH, reaching an impressive rate of 88 % at a concentration of 10−3 M. Polarization analysis revealed DNPH's role as a mixed-type inhibitor. Furthermore, the study elucidated that DNPH adsorption on the CS surface followed the Langmuir adsorption model, with a mechanism attributed to specific physical interactions. Scanning electron microscope (SEM) observations of both treated and untreated samples confirmed DNPH's efficacy in protecting carbon steel in a 0.5 M H2SO4 environment. Quantum chemical calculations using Density Functional Theory (DFT) parameters, in conjunction with molecular dynamics simulations, provided theoretical data strongly correlated with experimental results.