Experimental and theoretical investigations of a newly synthesized azomethine compound as inhibitor for mild steel corrosion in aggressive media: A comprehensive study

Raman Kumar; Hansung Kim; Gurmeet Singh

doi:10.1016/j.molliq.2018.02.123

Experimental and theoretical investigations of a newly synthesized azomethine compound as inhibitor for mild steel corrosion in aggressive media: A comprehensive study

Raman Kumar, Hansung Kim, Gurmeet Singh

Department of Chemical and Biomolecular Engineering

Research output: Contribution to journal › Article › peer-review

22 Citations (Scopus)

Abstract

A new azomethine compound viz. 3-(2-amino-4,5-dimethylphenyl)imino)methyl) benzaldehyde (ADMB) was synthesized following a greener approach at room temperature and its anti-corrosion characteristics for mild steel (MS) corrosion were examined at various temperatures (298 K to 328 K) and concentrations (1 mM to 0.001 mM) in 0.5 M H₂SO₄ via electrochemical methods allied with surface characterization techniques. The adsorption of the ADMB molecules on the metal surface follows Langmuir's adsorption isotherm. To ascertain the mode of adsorption process, various adsorption and activation parameters were evaluated. Surface characterization studies viz. ATR-FTIR, SEM, AFM and EDS depict the formation of protective layer of ADMB on MS specimen. Density functional theory (DFT) treatment of ADMB established that the lower energy gap (ΔE) between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) resulted in significantly high inhibition efficiency. These results have shown that ADMB act as an effective inhibitor for MS corrosion in H₂SO₄. The inhibition efficiencies predicted from experimental measurements are in agreement with the theoretically evaluated parameters and results of spectroscopic techniques.

Original language	English
Pages (from-to)	199-208
Number of pages	10
Journal	Journal of Molecular Liquids
Volume	259
DOIs	https://doi.org/10.1016/j.molliq.2018.02.123
Publication status	Published - 2018 Jun 1

Bibliographical note

Funding Information:
This work was supported by Korea Institute of Energy Technology Evaluation and Planning ( KETEP ) ( 20162010103990 ) grant funded by the Korean Ministry of Trade, Industry and Energy. The authors would also like to acknowledge the financial support provided from UGC -Major Research Project ( 42-319/2013, SR ) and the research facilities provided by the Department of Chemistry and the University Science Instrumentation Centre (USIC), University of Delhi, India.

Funding Information:
This work was supported by Korea Institute of Energy Technology Evaluation and Planning (KETEP) (20162010103990) grant funded by the Korean Ministry of Trade, Industry and Energy. The authors would also like to acknowledge the financial support provided from UGC-Major Research Project (42-319/2013, SR) and the research facilities provided by the Department of Chemistry and the University Science Instrumentation Centre (USIC), University of Delhi, India.

Publisher Copyright:
© 2018 Elsevier B.V.

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Spectroscopy
Physical and Theoretical Chemistry
Materials Chemistry

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10.1016/j.molliq.2018.02.123

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title = "Experimental and theoretical investigations of a newly synthesized azomethine compound as inhibitor for mild steel corrosion in aggressive media: A comprehensive study",

abstract = "A new azomethine compound viz. 3-(2-amino-4,5-dimethylphenyl)imino)methyl) benzaldehyde (ADMB) was synthesized following a greener approach at room temperature and its anti-corrosion characteristics for mild steel (MS) corrosion were examined at various temperatures (298 K to 328 K) and concentrations (1 mM to 0.001 mM) in 0.5 M H2SO4 via electrochemical methods allied with surface characterization techniques. The adsorption of the ADMB molecules on the metal surface follows Langmuir's adsorption isotherm. To ascertain the mode of adsorption process, various adsorption and activation parameters were evaluated. Surface characterization studies viz. ATR-FTIR, SEM, AFM and EDS depict the formation of protective layer of ADMB on MS specimen. Density functional theory (DFT) treatment of ADMB established that the lower energy gap (ΔE) between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) resulted in significantly high inhibition efficiency. These results have shown that ADMB act as an effective inhibitor for MS corrosion in H2SO4. The inhibition efficiencies predicted from experimental measurements are in agreement with the theoretically evaluated parameters and results of spectroscopic techniques.",

author = "Raman Kumar and Hansung Kim and Gurmeet Singh",

note = "Funding Information: This work was supported by Korea Institute of Energy Technology Evaluation and Planning ( KETEP ) ( 20162010103990 ) grant funded by the Korean Ministry of Trade, Industry and Energy. The authors would also like to acknowledge the financial support provided from UGC -Major Research Project ( 42-319/2013, SR ) and the research facilities provided by the Department of Chemistry and the University Science Instrumentation Centre (USIC), University of Delhi, India. Funding Information: This work was supported by Korea Institute of Energy Technology Evaluation and Planning (KETEP) (20162010103990) grant funded by the Korean Ministry of Trade, Industry and Energy. The authors would also like to acknowledge the financial support provided from UGC-Major Research Project (42-319/2013, SR) and the research facilities provided by the Department of Chemistry and the University Science Instrumentation Centre (USIC), University of Delhi, India. Publisher Copyright: {\textcopyright} 2018 Elsevier B.V.",

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doi = "10.1016/j.molliq.2018.02.123",

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AU - Kumar, Raman

AU - Kim, Hansung

AU - Singh, Gurmeet

N1 - Funding Information: This work was supported by Korea Institute of Energy Technology Evaluation and Planning ( KETEP ) ( 20162010103990 ) grant funded by the Korean Ministry of Trade, Industry and Energy. The authors would also like to acknowledge the financial support provided from UGC -Major Research Project ( 42-319/2013, SR ) and the research facilities provided by the Department of Chemistry and the University Science Instrumentation Centre (USIC), University of Delhi, India. Funding Information: This work was supported by Korea Institute of Energy Technology Evaluation and Planning (KETEP) (20162010103990) grant funded by the Korean Ministry of Trade, Industry and Energy. The authors would also like to acknowledge the financial support provided from UGC-Major Research Project (42-319/2013, SR) and the research facilities provided by the Department of Chemistry and the University Science Instrumentation Centre (USIC), University of Delhi, India. Publisher Copyright: © 2018 Elsevier B.V.

PY - 2018/6/1

Y1 - 2018/6/1

N2 - A new azomethine compound viz. 3-(2-amino-4,5-dimethylphenyl)imino)methyl) benzaldehyde (ADMB) was synthesized following a greener approach at room temperature and its anti-corrosion characteristics for mild steel (MS) corrosion were examined at various temperatures (298 K to 328 K) and concentrations (1 mM to 0.001 mM) in 0.5 M H2SO4 via electrochemical methods allied with surface characterization techniques. The adsorption of the ADMB molecules on the metal surface follows Langmuir's adsorption isotherm. To ascertain the mode of adsorption process, various adsorption and activation parameters were evaluated. Surface characterization studies viz. ATR-FTIR, SEM, AFM and EDS depict the formation of protective layer of ADMB on MS specimen. Density functional theory (DFT) treatment of ADMB established that the lower energy gap (ΔE) between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) resulted in significantly high inhibition efficiency. These results have shown that ADMB act as an effective inhibitor for MS corrosion in H2SO4. The inhibition efficiencies predicted from experimental measurements are in agreement with the theoretically evaluated parameters and results of spectroscopic techniques.

AB - A new azomethine compound viz. 3-(2-amino-4,5-dimethylphenyl)imino)methyl) benzaldehyde (ADMB) was synthesized following a greener approach at room temperature and its anti-corrosion characteristics for mild steel (MS) corrosion were examined at various temperatures (298 K to 328 K) and concentrations (1 mM to 0.001 mM) in 0.5 M H2SO4 via electrochemical methods allied with surface characterization techniques. The adsorption of the ADMB molecules on the metal surface follows Langmuir's adsorption isotherm. To ascertain the mode of adsorption process, various adsorption and activation parameters were evaluated. Surface characterization studies viz. ATR-FTIR, SEM, AFM and EDS depict the formation of protective layer of ADMB on MS specimen. Density functional theory (DFT) treatment of ADMB established that the lower energy gap (ΔE) between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) resulted in significantly high inhibition efficiency. These results have shown that ADMB act as an effective inhibitor for MS corrosion in H2SO4. The inhibition efficiencies predicted from experimental measurements are in agreement with the theoretically evaluated parameters and results of spectroscopic techniques.

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JF - Journal of Molecular Liquids

ER -

Experimental and theoretical investigations of a newly synthesized azomethine compound as inhibitor for mild steel corrosion in aggressive media: A comprehensive study

Abstract

Bibliographical note

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