Experimental and computational chemical studies on the corrosion inhibitive properties of carbonitrile compounds for carbon steel in aqueous solutions

Abstract The present work aims to study 6-amino-4-aryl-2-oxo-1-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile derivatives namely: 6-Amino-2-oxo-1,4-diphenyl-1,2-dihydropyridine-3,5-dicarbonitrile (PdC-H), 6-Amino-2-oxo-1-phenyl-4-(p-tolyl)-1,2-dihydropyridine-3,5-dicarbonitrile (PdC-Me) and 6-Amino-4...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Abd El-Aziz S. Fouda, Abdelmonem H. El-Askalany, Ahmed F. S. Molouk, Niveen S. Elsheikh, Ashraf S. Abousalem
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/115f64c039d74aa29351de417f9acbe1
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:115f64c039d74aa29351de417f9acbe1
record_format	dspace
spelling	oai:doaj.org-article:115f64c039d74aa29351de417f9acbe12021-11-08T10:52:26ZExperimental and computational chemical studies on the corrosion inhibitive properties of carbonitrile compounds for carbon steel in aqueous solutions10.1038/s41598-021-00701-z2045-2322https://doaj.org/article/115f64c039d74aa29351de417f9acbe12021-11-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-00701-zhttps://doaj.org/toc/2045-2322Abstract The present work aims to study 6-amino-4-aryl-2-oxo-1-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile derivatives namely: 6-Amino-2-oxo-1,4-diphenyl-1,2-dihydropyridine-3,5-dicarbonitrile (PdC-H), 6-Amino-2-oxo-1-phenyl-4-(p-tolyl)-1,2-dihydropyridine-3,5-dicarbonitrile (PdC-Me) and 6-Amino-4-(4-hydroxyphenyl)-2-oxo-1-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile (PdC-OH) as corrosion inhibitors to provide protection for carbon steel in a molar hydrochloric acid medium. Chemical measurements such as (weight loss) and electrochemical techniques such as (Potentiodynamic polarization, electrochemical impedance spectroscopy, and Electron frequency modulation) were applied to characterize the inhibitory properties of the synthesized derivatives. The adsorption of these derivatives on the carbon steel surface was confirmed by Attenuated Total Refraction Infrared (ATR-IR), Atomic Force Microscope (AFM), and X-ray Photoelectron Spectroscopy (XPS). Our findings revealed that the tested derivatives have corrosion inhibition power, which increased significantly from 75.7 to 91.67% on the addition of KI (PdC-OH:KI = 1:1) to inhibited test solution with PdC-OH derivative at 25 °C. The adsorption process on the metal surface follows the Langmuir adsorption model. XPS analysis showed that the inhibitor layer consists of an iron oxide/hydroxide mixture in which the inhibitor molecules are incorporated. Computational chemical theories such as DFT calculations and Mont Carlo simulation have been performed to correlate the molecular properties of the investigated inhibitors with experimental efficiency. The theoretical speculation by Dmol3 corroborates with the results from the experimental findings.Abd El-Aziz S. FoudaAbdelmonem H. El-AskalanyAhmed F. S. MoloukNiveen S. ElsheikhAshraf S. AbousalemNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-24 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Abd El-Aziz S. Fouda Abdelmonem H. El-Askalany Ahmed F. S. Molouk Niveen S. Elsheikh Ashraf S. Abousalem Experimental and computational chemical studies on the corrosion inhibitive properties of carbonitrile compounds for carbon steel in aqueous solutions
description	Abstract The present work aims to study 6-amino-4-aryl-2-oxo-1-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile derivatives namely: 6-Amino-2-oxo-1,4-diphenyl-1,2-dihydropyridine-3,5-dicarbonitrile (PdC-H), 6-Amino-2-oxo-1-phenyl-4-(p-tolyl)-1,2-dihydropyridine-3,5-dicarbonitrile (PdC-Me) and 6-Amino-4-(4-hydroxyphenyl)-2-oxo-1-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile (PdC-OH) as corrosion inhibitors to provide protection for carbon steel in a molar hydrochloric acid medium. Chemical measurements such as (weight loss) and electrochemical techniques such as (Potentiodynamic polarization, electrochemical impedance spectroscopy, and Electron frequency modulation) were applied to characterize the inhibitory properties of the synthesized derivatives. The adsorption of these derivatives on the carbon steel surface was confirmed by Attenuated Total Refraction Infrared (ATR-IR), Atomic Force Microscope (AFM), and X-ray Photoelectron Spectroscopy (XPS). Our findings revealed that the tested derivatives have corrosion inhibition power, which increased significantly from 75.7 to 91.67% on the addition of KI (PdC-OH:KI = 1:1) to inhibited test solution with PdC-OH derivative at 25 °C. The adsorption process on the metal surface follows the Langmuir adsorption model. XPS analysis showed that the inhibitor layer consists of an iron oxide/hydroxide mixture in which the inhibitor molecules are incorporated. Computational chemical theories such as DFT calculations and Mont Carlo simulation have been performed to correlate the molecular properties of the investigated inhibitors with experimental efficiency. The theoretical speculation by Dmol3 corroborates with the results from the experimental findings.
format	article
author	Abd El-Aziz S. Fouda Abdelmonem H. El-Askalany Ahmed F. S. Molouk Niveen S. Elsheikh Ashraf S. Abousalem
author_facet	Abd El-Aziz S. Fouda Abdelmonem H. El-Askalany Ahmed F. S. Molouk Niveen S. Elsheikh Ashraf S. Abousalem
author_sort	Abd El-Aziz S. Fouda
title	Experimental and computational chemical studies on the corrosion inhibitive properties of carbonitrile compounds for carbon steel in aqueous solutions
title_short	Experimental and computational chemical studies on the corrosion inhibitive properties of carbonitrile compounds for carbon steel in aqueous solutions
title_full	Experimental and computational chemical studies on the corrosion inhibitive properties of carbonitrile compounds for carbon steel in aqueous solutions
title_fullStr	Experimental and computational chemical studies on the corrosion inhibitive properties of carbonitrile compounds for carbon steel in aqueous solutions
title_full_unstemmed	Experimental and computational chemical studies on the corrosion inhibitive properties of carbonitrile compounds for carbon steel in aqueous solutions
title_sort	experimental and computational chemical studies on the corrosion inhibitive properties of carbonitrile compounds for carbon steel in aqueous solutions
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/115f64c039d74aa29351de417f9acbe1
work_keys_str_mv	AT abdelazizsfouda experimentalandcomputationalchemicalstudiesonthecorrosioninhibitivepropertiesofcarbonitrilecompoundsforcarbonsteelinaqueoussolutions AT abdelmonemhelaskalany experimentalandcomputationalchemicalstudiesonthecorrosioninhibitivepropertiesofcarbonitrilecompoundsforcarbonsteelinaqueoussolutions AT ahmedfsmolouk experimentalandcomputationalchemicalstudiesonthecorrosioninhibitivepropertiesofcarbonitrilecompoundsforcarbonsteelinaqueoussolutions AT niveenselsheikh experimentalandcomputationalchemicalstudiesonthecorrosioninhibitivepropertiesofcarbonitrilecompoundsforcarbonsteelinaqueoussolutions AT ashrafsabousalem experimentalandcomputationalchemicalstudiesonthecorrosioninhibitivepropertiesofcarbonitrilecompoundsforcarbonsteelinaqueoussolutions
_version_	1718442497053556736

Experimental and computational chemical studies on the corrosion inhibitive properties of carbonitrile compounds for carbon steel in aqueous solutions

Ejemplares similares