New triazepine carboxylate derivatives: correlation between corrosion inhibition property and chemical structure

Abstract

In this investigation, attempts have been made to study the corrosion inhibition properties of three new triazepine carboxylate compounds for mild steel in 1.0 M hydrochloric acid medium. The evaluation was carried out using mass loss, electrochemical impedance spectroscopy and polarization curves measurement. Impedance diagrams and Bode plots for uninhibited and inhibited systems were analyzed using Zview program. The fitted data observed trails in nearly the same pattern as the experimental results. It is showed that triazepine carboxylate compounds are very good inhibitors for mild steel corrosion in 1.0 M hydrochloric acid medium which act as mixed-type inhibitors. So, the inhibition efficiency was increased with inhibitor concentration in the order Cl-Me-CN > Me-CN > Cl-Me-CO 2 Et which depended on their molecular structures. Electrochemical impedance spectroscopy showed that all compounds act by the formation of a protective film at the metal surface. Surface analyses via SEM and Optical 3D profilometry were used to investigate the morphology of the steels before and after immersion in 1.0 M HCl solution containing inhibitors. The correspondence between inhibition property and molecular structure of the triazepine carboxylate compounds was investigated, using density functional theory (DFT). Experimental and DFT study was further supported by molecular dynamic simulations study.

Exploration of synthesized quaternary ammonium ionic liquids as unharmful anti-corrosives for aluminium utilizing hydrochloric acid medium

“…The fall in the capacity as the BOPAMS and BOBAMS concentrations are raised can be due to the formation of the binding film layer by the BOPAMS and BOBAMS molecules on Al surface (Tsuru et al, 1978). The decrease can also be due to the rise in the thickness of the electrical double layer or the fall in local dielectric constant, indicating that the molecules of BOPAMS and BOBAMS work by binding at the interface between the solution and the Al surface through the displacement of water molecules (Alaoui et al, 2020).…”

Development of Natural Plant Extracts as Sustainable Inhibitors for Efficient Protection of Mild Steel: Experimental and First-Principles Multi-Level Computational Methods

“…Figure S3c presents the inhibition coefficient ( γ ) as a function of the inhibitor concentration. γ was calculated using Equation (7) [ 41 ]. …”

Corrosion Inhibition, Adsorption and Thermodynamic Properties of Poly (Sodium 4-Styrenesulfonate) on Carbon Steel in Phosphoric Acid Medium

“…where χFe and ηFe, χinh and ηinh denote the electronegativity and hardness of iron and inhibitor molecule, respectively. In this study, we used the theoretical value χFe = 7.0 and ηFe = 0 eV/mol for a metallic charge (I = A) because they are softer than the neutral metal atoms [30].…”