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

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 confi...

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Autores principales: 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
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4850708/
https://www.ncbi.nlm.nih.gov/pubmed/27134648
http://dx.doi.org/10.1186/s13065-016-0170-3
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author 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
author_facet 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
author_sort Al-Azawi, Khalida F.
collection PubMed
description 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 (K) and standard free energy of adsorption (ΔG(ads)) 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.
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spelling pubmed-48507082016-04-30 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 Chem Cent J Short Report 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 (K) and standard free energy of adsorption (ΔG(ads)) 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. Springer International Publishing 2016-04-27 /pmc/articles/PMC4850708/ /pubmed/27134648 http://dx.doi.org/10.1186/s13065-016-0170-3 Text en © Al-Azawi et al. 2016 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.
spellingShingle Short Report
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
title Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution
title_full Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution
title_fullStr Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution
title_full_unstemmed Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution
title_short Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution
title_sort synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution
topic Short Report
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4850708/
https://www.ncbi.nlm.nih.gov/pubmed/27134648
http://dx.doi.org/10.1186/s13065-016-0170-3
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