Synthesis and corrosion inhibition application of NATN on mild steel surface in acidic media complemented with DFT studies

The corrosion inhibition effectiveness of thiosemicarbazide compound, namely 3-nitro-5-(2-amino-1,3,4-thiadiazolyl)nitrobenzene (NATN), on mild steel in 1 M hydrochloric acid media has been investigated by weight loss technique. The results exhibit that the corrosion ratio of mild steel was reduced...

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Main Authors:	Shaimaa B. Al-Baghdadi, Fanar G. Hashim, Ahmed Q. Salam, Talib K. Abed, Tayser Sumer Gaaz, Ahmed A. Al-Amiery, Abdul Amir H. Kadhum, Khalid S. Reda, Wahab K. Ahmed
Format:	Article
Language:	English
Published:	Elsevier 2018-03-01
Series:	Results in Physics
Online Access:	http://www.sciencedirect.com/science/article/pii/S2211379717325056

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spelling	doaj-580d2b53afdd45f699b288a2f08042322020-11-24T23:16:08ZengElsevierResults in Physics2211-37972018-03-01811781184Synthesis and corrosion inhibition application of NATN on mild steel surface in acidic media complemented with DFT studiesShaimaa B. Al-Baghdadi0Fanar G. Hashim1Ahmed Q. Salam2Talib K. Abed3Tayser Sumer Gaaz4Ahmed A. Al-Amiery5Abdul Amir H. Kadhum6Khalid S. Reda7Wahab K. Ahmed8University of Technology (UOT), Baghdad 10001, IraqUniversity of Technology (UOT), Baghdad 10001, IraqUniversity of Technology (UOT), Baghdad 10001, IraqUniversity of Technology (UOT), Baghdad 10001, IraqDepartment of Machinery Equipment Engineering Techniques, Technical College Al-Musaib, Al-Furat Al Awsat Technical University, Al-Musaib, Babil 51009, Iraq; Corresponding authors.University of Technology (UOT), Baghdad 10001, Iraq; Corresponding authors.Department of Chemical & Process Engineering, Universiti Kebangsaan Malaysia (UKM), Bangi, Selangor 43000, MalaysiaUniversity of Technology (UOT), Baghdad 10001, IraqUniversity of Technology (UOT), Baghdad 10001, IraqThe corrosion inhibition effectiveness of thiosemicarbazide compound, namely 3-nitro-5-(2-amino-1,3,4-thiadiazolyl)nitrobenzene (NATN), on mild steel in 1 M hydrochloric acid media has been investigated by weight loss technique. The results exhibit that the corrosion ratio of mild steel was reduced regarding to adding NATN. The corrosion inhibition rate for the NATN was 92.3% at the highest investigated NATN concentration. From the weight loss results it could be concluded that NATN with sulfur, nitrogen and oxygen atoms has clarified best corrosion inhibition achievement comparing to 3,5-dinitrobenzoic acid. Regarding to theoretical studies, DFT was employee to figured geometrical structure and electronic characteristics on NATN. The investigation have been extensive to the HOMO and LUMO analysis to evaluate the energy gap, Ionization potential, Electron Affinity, Global Hardness, Chemical Potential, Electrophilicity, Electronegativity and Polarizability. Keywords: NATN, Mild steel, Weight loss, Dinitrobenzoic acidhttp://www.sciencedirect.com/science/article/pii/S2211379717325056
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Shaimaa B. Al-Baghdadi Fanar G. Hashim Ahmed Q. Salam Talib K. Abed Tayser Sumer Gaaz Ahmed A. Al-Amiery Abdul Amir H. Kadhum Khalid S. Reda Wahab K. Ahmed
spellingShingle	Shaimaa B. Al-Baghdadi Fanar G. Hashim Ahmed Q. Salam Talib K. Abed Tayser Sumer Gaaz Ahmed A. Al-Amiery Abdul Amir H. Kadhum Khalid S. Reda Wahab K. Ahmed Synthesis and corrosion inhibition application of NATN on mild steel surface in acidic media complemented with DFT studies Results in Physics
author_facet	Shaimaa B. Al-Baghdadi Fanar G. Hashim Ahmed Q. Salam Talib K. Abed Tayser Sumer Gaaz Ahmed A. Al-Amiery Abdul Amir H. Kadhum Khalid S. Reda Wahab K. Ahmed
author_sort	Shaimaa B. Al-Baghdadi
title	Synthesis and corrosion inhibition application of NATN on mild steel surface in acidic media complemented with DFT studies
title_short	Synthesis and corrosion inhibition application of NATN on mild steel surface in acidic media complemented with DFT studies
title_full	Synthesis and corrosion inhibition application of NATN on mild steel surface in acidic media complemented with DFT studies
title_fullStr	Synthesis and corrosion inhibition application of NATN on mild steel surface in acidic media complemented with DFT studies
title_full_unstemmed	Synthesis and corrosion inhibition application of NATN on mild steel surface in acidic media complemented with DFT studies
title_sort	synthesis and corrosion inhibition application of natn on mild steel surface in acidic media complemented with dft studies
publisher	Elsevier
series	Results in Physics
issn	2211-3797
publishDate	2018-03-01
description	The corrosion inhibition effectiveness of thiosemicarbazide compound, namely 3-nitro-5-(2-amino-1,3,4-thiadiazolyl)nitrobenzene (NATN), on mild steel in 1 M hydrochloric acid media has been investigated by weight loss technique. The results exhibit that the corrosion ratio of mild steel was reduced regarding to adding NATN. The corrosion inhibition rate for the NATN was 92.3% at the highest investigated NATN concentration. From the weight loss results it could be concluded that NATN with sulfur, nitrogen and oxygen atoms has clarified best corrosion inhibition achievement comparing to 3,5-dinitrobenzoic acid. Regarding to theoretical studies, DFT was employee to figured geometrical structure and electronic characteristics on NATN. The investigation have been extensive to the HOMO and LUMO analysis to evaluate the energy gap, Ionization potential, Electron Affinity, Global Hardness, Chemical Potential, Electrophilicity, Electronegativity and Polarizability. Keywords: NATN, Mild steel, Weight loss, Dinitrobenzoic acid
url	http://www.sciencedirect.com/science/article/pii/S2211379717325056
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Synthesis and corrosion inhibition application of NATN on mild steel surface in acidic media complemented with DFT studies

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