The study of a new pyran compound in two distinct environments: 0.5 M H2SO4 and 1.0 M HCl as inhibitor and combines experimental evaluations with computational analytics to assess its performance

Khattabi, M.; Benhiba, F.; Tabti, S.; Djedouani, A.; Zarrouk, H.; Boutakiout, A.; Touzani, R.; Ward, I.; Touhami, M. Ebn; Oudda, H.; Zarrouk, Abdelkader M

doi:10.22034/abec.2023.708105

The study of a new pyran compound in two distinct environments: 0.5 M H2SO4 and 1.0 M HCl as inhibitor and combines experimental evaluations with computational analytics to assess its performance

Document Type : Original Article

Authors

M. Khattabi ¹

F. Benhiba ²^{, 3}

S. Tabti ⁴

A. Djedouani ⁵^{, 6}

H. Zarrouk ¹

A. Boutakiout ²

R. Touzani ⁷

I. Ward ⁸

M. Ebn Touhami ¹

H. Oudda ¹

Abdelkader M Zarrouk ²

¹ Laboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofail University, P.O. Box. 133, Kenitra, 14000, Morocco

² Laboratory of Materials, Nanotechnology and Environment, Faculty of Sciences, Mohammed V University in Rabat, P.O. Box 1014, Agdal-Rabat, Morocco

³ Higher Institute of Nursing Professions and Health Techniques of Agadir Annex Guelmim, Morocco

⁴ Laboratory of Electronic Materials and Systems, Faculty of Science and Technology Department of Science and Materials, University of Mohamed El Bachir El Ibrahimi-El Anasser- Bordj Bou Arreridj, 34000, Algeria

⁵ Ecole Normale Superior Assia Djebar of Constantine, Department of Physics and Chemistry, University Constantine 3, 250 0 0, Algeria

⁶ Laboratory of Analytical Physicochemistry and Crystallochemistry of Organometallic and Biomolecular Materials, University Constantine 1, 250 0 0, Algeria

⁷ Laboratory of Applied and Environmental Chemistry (LCAE), Mohammed First University, Oujda, Morocco

⁸ Department of Chemistry, AN-Najah National University, P.O. Box 7, Nablus, Palestine

10.22034/abec.2023.708105

Abstract

The effects of 1.0 M hydrochloric acid (HCl) and 0.5 M sulphuric acid (H2SO4) were evaluated for a new pyran derivative known as (E)-4-hydroxy-3-(3-hydroxy-4-methoxyphenyl)acryloyl)-6-methyl-2H-pyran-2-one (HMAP) on corrosion of MS. To evaluate the efficacy of HMAP, various techniques including weight loss measurements, potentiodynamic polarization measurement (PP), electrochemical impedance spectroscopy (EIS), and theoretical approaches [density functional theory (DFT) and Molecular Dynamic simulations (MDS)] were utilized. The maximum inhibitory efficiency was determined to be 89.3% in 1M HCl and 94.6% in 0.5M H2SO4 at 298 K in the existence of 1 mM HMAP. Langmuir isotherm fitted well adsorption process. Plotting Nyquist and Bode graphs in EIS allowed to determine CPE parameters by fitting resulting data. According to the polarization parameters, HMAP is a mixed-type inhibitor in both media, with a cathodic preponderance in the sulfuric medium. The results of the EIS investigation indicate that these compounds stop corrosion through an adsorption mechanism. Findings from experiments and theory were shown to be closely connected.

Keywords

New pyran derivative

HCl/H2SO4

Anticorrosion performance

Electrochemical impedance spectroscopy

Theoretical approaches

Subjects