Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution

Khalida F. Al-Azawi, Shaimaa B. Al-Baghdadi, Ayad Z. Mohamed, Ahmed A. Al-Amiery, Talib K. Abed, Salam A. Mohammed, Abdul Amir H. Kadhum, Abu Bakar Mohamad

Research output: Contribution to journalArticle

30 Citations (Scopus)

Abstract

Background: The acid corrosion inhibition process of mild steel in 1 M HCl by 4-[(2-amino-1, 3, 4-thiadiazol-5-yl)methoxy]coumarin (ATC), has been investigated using weight loss technique and scanning electron microscopy (SEM). ATC was synthesized, and its chemical structure was elucidated and confirmed using spectroscopic techniques (infrared and nuclear magnetic resonance spectroscopy). Findings: The results indicated that inhibition efficiencies were enhanced with an increase in concentration of inhibitor and decreased with a rise in temperature. The adsorption equilibrium constant (κ) and standard free energy of adsorption (δGads) were calculated. Quantum chemical parameters such as highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy (EHOMO and ELUMO, respectively) and dipole moment (μ) were calculated and discussed. The results showed that the corrosion inhibition efficiency increased with an increase in both the EHOMO and μ values but with a decrease in the ELUMO value. Conclusions: Our research show that the synthesized macromolecule represents an excellent inhibitor for materials in acidic solutions. The efficiency of this macromolecule had maximum inhibition efficiency up to 96 % at 0.5 mM and diminishes with a higher temperature degree, which is revealing of chemical adsorption. An inhibitor molecule were absorbed by metal surface and follow Langmuir isotherms low and establishes an efficient macromolecule inhibitor having excellent inhibitive properties due to entity of S (sulfur) atom, N (nitrogen) atom and O (oxygen) atom.

Original languageEnglish
Article number23
JournalChemistry Central Journal
Volume10
Issue number1
DOIs
Publication statusPublished - 27 Apr 2016

Fingerprint

Coumarins
Hydrochloric Acid
Carbon steel
Macromolecules
Corrosion
Molecular orbitals
Adsorption
Atoms
Dipole moment
Equilibrium constants
Sulfur
Nuclear magnetic resonance spectroscopy
Free energy
Isotherms
Nitrogen
Metals
Oxygen
Infrared radiation
Temperature
Scanning electron microscopy

Keywords

  • (thiadiazol-5-yl)methoxy)coumarin
  • Corrosion inhibitor
  • Isotherm
  • Weight loss

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution. / Al-Azawi, Khalida F.; Al-Baghdadi, Shaimaa B.; Mohamed, Ayad Z.; Al-Amiery, Ahmed A.; Abed, Talib K.; Mohammed, Salam A.; Kadhum, Abdul Amir H.; Mohamad, Abu Bakar.

In: Chemistry Central Journal, Vol. 10, No. 1, 23, 27.04.2016.

Research output: Contribution to journalArticle

Al-Azawi, Khalida F. ; Al-Baghdadi, Shaimaa B. ; Mohamed, Ayad Z. ; Al-Amiery, Ahmed A. ; Abed, Talib K. ; Mohammed, Salam A. ; Kadhum, Abdul Amir H. ; Mohamad, Abu Bakar. / Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution. In: Chemistry Central Journal. 2016 ; Vol. 10, No. 1.
@article{28c1ba64a16746bba9b33ab5af0751f5,
title = "Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution",
abstract = "Background: The acid corrosion inhibition process of mild steel in 1 M HCl by 4-[(2-amino-1, 3, 4-thiadiazol-5-yl)methoxy]coumarin (ATC), has been investigated using weight loss technique and scanning electron microscopy (SEM). ATC was synthesized, and its chemical structure was elucidated and confirmed using spectroscopic techniques (infrared and nuclear magnetic resonance spectroscopy). Findings: The results indicated that inhibition efficiencies were enhanced with an increase in concentration of inhibitor and decreased with a rise in temperature. The adsorption equilibrium constant (κ) and standard free energy of adsorption (δGads) were calculated. Quantum chemical parameters such as highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy (EHOMO and ELUMO, respectively) and dipole moment (μ) were calculated and discussed. The results showed that the corrosion inhibition efficiency increased with an increase in both the EHOMO and μ values but with a decrease in the ELUMO value. Conclusions: Our research show that the synthesized macromolecule represents an excellent inhibitor for materials in acidic solutions. The efficiency of this macromolecule had maximum inhibition efficiency up to 96 {\%} at 0.5 mM and diminishes with a higher temperature degree, which is revealing of chemical adsorption. An inhibitor molecule were absorbed by metal surface and follow Langmuir isotherms low and establishes an efficient macromolecule inhibitor having excellent inhibitive properties due to entity of S (sulfur) atom, N (nitrogen) atom and O (oxygen) atom.",
keywords = "(thiadiazol-5-yl)methoxy)coumarin, Corrosion inhibitor, Isotherm, Weight loss",
author = "Al-Azawi, {Khalida F.} and Al-Baghdadi, {Shaimaa B.} and Mohamed, {Ayad Z.} and Al-Amiery, {Ahmed A.} and Abed, {Talib K.} and Mohammed, {Salam A.} and Kadhum, {Abdul Amir H.} and Mohamad, {Abu Bakar}",
year = "2016",
month = "4",
day = "27",
doi = "10.1186/s13065-016-0170-3",
language = "English",
volume = "10",
journal = "Chemistry Central Journal",
issn = "1752-153X",
publisher = "Chemistry Central",
number = "1",

}

TY - JOUR

T1 - Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution

AU - Al-Azawi, Khalida F.

AU - Al-Baghdadi, Shaimaa B.

AU - Mohamed, Ayad Z.

AU - Al-Amiery, Ahmed A.

AU - Abed, Talib K.

AU - Mohammed, Salam A.

AU - Kadhum, Abdul Amir H.

AU - Mohamad, Abu Bakar

PY - 2016/4/27

Y1 - 2016/4/27

N2 - Background: The acid corrosion inhibition process of mild steel in 1 M HCl by 4-[(2-amino-1, 3, 4-thiadiazol-5-yl)methoxy]coumarin (ATC), has been investigated using weight loss technique and scanning electron microscopy (SEM). ATC was synthesized, and its chemical structure was elucidated and confirmed using spectroscopic techniques (infrared and nuclear magnetic resonance spectroscopy). Findings: The results indicated that inhibition efficiencies were enhanced with an increase in concentration of inhibitor and decreased with a rise in temperature. The adsorption equilibrium constant (κ) and standard free energy of adsorption (δGads) were calculated. Quantum chemical parameters such as highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy (EHOMO and ELUMO, respectively) and dipole moment (μ) were calculated and discussed. The results showed that the corrosion inhibition efficiency increased with an increase in both the EHOMO and μ values but with a decrease in the ELUMO value. Conclusions: Our research show that the synthesized macromolecule represents an excellent inhibitor for materials in acidic solutions. The efficiency of this macromolecule had maximum inhibition efficiency up to 96 % at 0.5 mM and diminishes with a higher temperature degree, which is revealing of chemical adsorption. An inhibitor molecule were absorbed by metal surface and follow Langmuir isotherms low and establishes an efficient macromolecule inhibitor having excellent inhibitive properties due to entity of S (sulfur) atom, N (nitrogen) atom and O (oxygen) atom.

AB - Background: The acid corrosion inhibition process of mild steel in 1 M HCl by 4-[(2-amino-1, 3, 4-thiadiazol-5-yl)methoxy]coumarin (ATC), has been investigated using weight loss technique and scanning electron microscopy (SEM). ATC was synthesized, and its chemical structure was elucidated and confirmed using spectroscopic techniques (infrared and nuclear magnetic resonance spectroscopy). Findings: The results indicated that inhibition efficiencies were enhanced with an increase in concentration of inhibitor and decreased with a rise in temperature. The adsorption equilibrium constant (κ) and standard free energy of adsorption (δGads) were calculated. Quantum chemical parameters such as highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy (EHOMO and ELUMO, respectively) and dipole moment (μ) were calculated and discussed. The results showed that the corrosion inhibition efficiency increased with an increase in both the EHOMO and μ values but with a decrease in the ELUMO value. Conclusions: Our research show that the synthesized macromolecule represents an excellent inhibitor for materials in acidic solutions. The efficiency of this macromolecule had maximum inhibition efficiency up to 96 % at 0.5 mM and diminishes with a higher temperature degree, which is revealing of chemical adsorption. An inhibitor molecule were absorbed by metal surface and follow Langmuir isotherms low and establishes an efficient macromolecule inhibitor having excellent inhibitive properties due to entity of S (sulfur) atom, N (nitrogen) atom and O (oxygen) atom.

KW - (thiadiazol-5-yl)methoxy)coumarin

KW - Corrosion inhibitor

KW - Isotherm

KW - Weight loss

UR - http://www.scopus.com/inward/record.url?scp=84966264844&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84966264844&partnerID=8YFLogxK

U2 - 10.1186/s13065-016-0170-3

DO - 10.1186/s13065-016-0170-3

M3 - Article

AN - SCOPUS:84966264844

VL - 10

JO - Chemistry Central Journal

JF - Chemistry Central Journal

SN - 1752-153X

IS - 1

M1 - 23

ER -