We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Insights into the Corrosion Inhibition Performance of Three 2-Isoxazoline-γ-Lactones for Carbon Steel in Acidic Medium: Linking Molecular and Experimental-Level Information with Microscopic-Scale Modeling.
- Authors
Youssefi, Youssef; Ansari, Abdeslam; Ou-ani, Omar; Oucheikh, Lahcen; Oubair, Ahmad; Lgaz, Hassane; Hammouti, Belkheir; Chaouiki, Abdelkarim; Ko, Young Gun; Znini, Mohamed
- Abstract
The corrosion inhibition properties of three spiro-isoxazoline derivatives, namely 3,4-diphenyl-1,7-dioxa-2-azaspiro[4.4]non-2-en-6-one (DDA), 3-phenyl-4-(p-tolyl)-1,7-dioxa-2-azaspiro[4.4]non-2-en-6-one (PDA) and 4-(4-methoxyphenyl)-3-phenyl-1,7-dioxa-2-azaspiro[4.4]non-2-en-6-one (MDA) on carbon steel in 1.0 mol/L HCl acid medium were experimentally and computationally investigated. The experimental results showed that the inhibitory efficiency reached remarkable values of 76.26, 80.31, and 82.91%, respectively, for DDA, PDA and MDA at a maximum concentration of 10−3 mol/L. The potentiodynamic polarization curves (PPCs) showed that investigated compounds had a mixed type character, controlling both anodic and cathodic corrosion reactions. In addition, electrochemical impedance spectroscopy (EIS) indicated that the addition of increasing concentration of tested compounds to HCl solutions led to a significant increase in the polarization resistance of the carbon steel, which was accompanied with a simultaneous decrease in the double layer capacitance. On the other hand, the morphological study of the metal surface by scanning electron microscope (SEM) and energy dispersive X-ray (EDX) confirmed the effective protection of the carbon steel by the inhibitors against corrosion through the formation of a protective film on its surface. The adsorption characteristics of investigated compounds on carbon steel were assessed at microscopic level using Density Functional Based Tight Binding (DFTB) simulation, which revealed the formation of covalent bonds between inhibitors' atoms and Fe atoms. Furthermore, additional insights into the compounds' reactivity and adsorption configurations on steel surface were obtained from global reactivity descriptors and Monte Carlo simulation. The present work's outcomes are interesting for further design and performance evaluation of effective organic corrosion inhibitors for acid environments.
- Subjects
CARBON steel; INFORMATION modeling; MONTE Carlo method; SCANNING electron microscopes; CARBON compounds; METALLIC surfaces; MALONDIALDEHYDE
- Publication
Lubricants (2075-4442), 2023, Vol 11, Issue 3, p141
- ISSN
2075-4442
- Publication type
Article
- DOI
10.3390/lubricants11030141