Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: A combined experimental and theoretical approach
Various experimental and theoretical methods have been employed to study the effectiveness of two pyrazoline derivatives namely, 2-(4-(5-(p-tolyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P1) and 2-(4-(5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P2) as corrosion inhibi...
Main Authors: | , , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
Taylor & Francis Group
2018-01-01
|
Series: | Cogent Engineering |
Subjects: | |
Online Access: | http://dx.doi.org/10.1080/23311916.2018.1441585 |
id |
doaj-ee743b7116f6425987eca112730ed6c4 |
---|---|
record_format |
Article |
spelling |
doaj-ee743b7116f6425987eca112730ed6c42021-03-02T14:46:46ZengTaylor & Francis GroupCogent Engineering2331-19162018-01-015110.1080/23311916.2018.14415851441585Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: A combined experimental and theoretical approachHassane Lgaz0Rachid Salghi1Abdelkarim Chaouiki2Shubhalaxmi3Shehdeh Jodeh4K. Subrahmanya Bhat5University Ibn TofailENSA, University Ibn ZohrUniversity Ibn TofailManipal Institute of Technology, Manipal Academy of Higher EducationAn-Najah National UniversityManipal Institute of Technology, Manipal Academy of Higher EducationVarious experimental and theoretical methods have been employed to study the effectiveness of two pyrazoline derivatives namely, 2-(4-(5-(p-tolyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P1) and 2-(4-(5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P2) as corrosion inhibitors for mild steel in 1.0 M HCl at 303 K. The inhibitors show high inhibition efficiency and their adsorption on mild steel surface was found to obey Langmuir adsorption isotherm. Potentiodynamic polarization results revealed that both compounds behaved as mixed-type inhibitors. The results from electrochemical impedance spectroscopy studies reveal an increase in polarization resistance. Density Functional Theory calculations and molecular dynamic simulations were used to give basic insights into the action mode of inhibitors as well as to substantiate the experimental results. The surface morphology of the mild steel surface was examined using Scanning Electron Microscopy and Atomic Force Microscopy.http://dx.doi.org/10.1080/23311916.2018.1441585inhibitorscorrosionpyrazolinedftmolecular dynamic simulation |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Hassane Lgaz Rachid Salghi Abdelkarim Chaouiki Shubhalaxmi Shehdeh Jodeh K. Subrahmanya Bhat |
spellingShingle |
Hassane Lgaz Rachid Salghi Abdelkarim Chaouiki Shubhalaxmi Shehdeh Jodeh K. Subrahmanya Bhat Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: A combined experimental and theoretical approach Cogent Engineering inhibitors corrosion pyrazoline dft molecular dynamic simulation |
author_facet |
Hassane Lgaz Rachid Salghi Abdelkarim Chaouiki Shubhalaxmi Shehdeh Jodeh K. Subrahmanya Bhat |
author_sort |
Hassane Lgaz |
title |
Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: A combined experimental and theoretical approach |
title_short |
Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: A combined experimental and theoretical approach |
title_full |
Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: A combined experimental and theoretical approach |
title_fullStr |
Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: A combined experimental and theoretical approach |
title_full_unstemmed |
Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: A combined experimental and theoretical approach |
title_sort |
pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: a combined experimental and theoretical approach |
publisher |
Taylor & Francis Group |
series |
Cogent Engineering |
issn |
2331-1916 |
publishDate |
2018-01-01 |
description |
Various experimental and theoretical methods have been employed to study the effectiveness of two pyrazoline derivatives namely, 2-(4-(5-(p-tolyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P1) and 2-(4-(5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P2) as corrosion inhibitors for mild steel in 1.0 M HCl at 303 K. The inhibitors show high inhibition efficiency and their adsorption on mild steel surface was found to obey Langmuir adsorption isotherm. Potentiodynamic polarization results revealed that both compounds behaved as mixed-type inhibitors. The results from electrochemical impedance spectroscopy studies reveal an increase in polarization resistance. Density Functional Theory calculations and molecular dynamic simulations were used to give basic insights into the action mode of inhibitors as well as to substantiate the experimental results. The surface morphology of the mild steel surface was examined using Scanning Electron Microscopy and Atomic Force Microscopy. |
topic |
inhibitors corrosion pyrazoline dft molecular dynamic simulation |
url |
http://dx.doi.org/10.1080/23311916.2018.1441585 |
work_keys_str_mv |
AT hassanelgaz pyrazolinederivativesaspossiblecorrosioninhibitorsformildsteelinacidicmediaacombinedexperimentalandtheoreticalapproach AT rachidsalghi pyrazolinederivativesaspossiblecorrosioninhibitorsformildsteelinacidicmediaacombinedexperimentalandtheoreticalapproach AT abdelkarimchaouiki pyrazolinederivativesaspossiblecorrosioninhibitorsformildsteelinacidicmediaacombinedexperimentalandtheoreticalapproach AT shubhalaxmi pyrazolinederivativesaspossiblecorrosioninhibitorsformildsteelinacidicmediaacombinedexperimentalandtheoreticalapproach AT shehdehjodeh pyrazolinederivativesaspossiblecorrosioninhibitorsformildsteelinacidicmediaacombinedexperimentalandtheoreticalapproach AT ksubrahmanyabhat pyrazolinederivativesaspossiblecorrosioninhibitorsformildsteelinacidicmediaacombinedexperimentalandtheoreticalapproach |
_version_ |
1724234823992606720 |