Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 330, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molliq.2021.115605
Keywords
Toxicity; Solubility; XPS; MD; EIS; Contact angle
Funding
- Netaji Subhas University of Technology, New Delhi
- National Natural Science Foundation of China [2176195]
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This study presents the synthesis and evaluation of four environmentally benign corrosion inhibitors on mild steel in hydrochloric acid medium, using various experimental and microscopic techniques, as well as complementing wet-chemical experimental outcomes with results from ab initio DFT study and MD simulation for further analysis of surface characteristics. The MD simulation outcomes provide visualization of interaction and adsorption of inhibitors on the Fe (110) surface.
This study presents synthesis of environmentally benign corrosion inhibitors, hydroxy acetophenone derivative namely, N'-(1-(2-hydroxyphenyl) ethylidene) acetohydrazide (ATOH), N'-(1-(2-hydroxyphenyl) ethylidene) benzohydrazide (BZOH), 2-(1-(2-hydroxyphenyl) ethylidene) hydrazine-1-carbothioamide (TSCOH) and N'-(1-(2-hydroxyphenyl) ethylidene) hydrazinecarbothiohydrazide (TCBOH) and full investigation of their protecting ability against corrosion of MS in 1 M HCl medium. A variety of electrochemical experimental techniques viz., electrochemical impedance spectroscopy, and potentiodynamic polarization coupled with different microscopic techniques viz., scanning electron microscopy, atomic force microscopy, and x-ray photoelectron spectroscopy were run to evaluate the corrosion resistive behaviour of inhibitors. The surface feature of mild steel was further analysed by measuring contact angle in different electrolytic solutions. Furthermore, these wet-chemical experimental outcomes are well complemented from results analysed from ab initio DFT study and MD simulation. Furthermore, the MD simulation outcomes helped in visualization of interaction and thereby adsorption of inhibitors on Fe (110) surface. (C) 2021 Elsevier B.V. All rights reserved.
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