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dc.contributor.author하산 르가즈-
dc.date.accessioned2022-08-11T01:46:10Z-
dc.date.available2022-08-11T01:46:10Z-
dc.date.issued2021-12-
dc.identifier.citationJOURNAL OF MOLECULAR LIQUIDS, v. 344, Page. 117882-117882en_US
dc.identifier.issn0167-7322-
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S0167732221026076-
dc.identifier.urihttps://repository.hanyang.ac.kr/handle/20.500.11754/172330-
dc.description.abstractThree isomers of aminomethylpyridazine, namely 4-pyridazinemethanamine (Pz1), 3-aminomethyl-pyridazine (Pz2) and 3-amino-6-methylpyridazine (Pz3) were studied for their corrosion prevention abilities on mild steel in 1 M HCl with the aid of potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS) and computational methods. Other procedures such as Fourier transform infrared spectroscopy (FTIR), ultraviolet-visible (UV-vis) spectrometer and scanning electron microscopy (SEM) were employed to support the results obtained from the PDP, EIS and computational techniques. The effect of different mode of substitution of aminomethyl group on the pyridazine molecule on corrosion inhibition potentials was investigated. The compounds showed increasing corrosion inhibition efficiency with increase in concentration, with Pz2 showing up to 91% inhibition efficiency at 500 ppm. The order of inhibition efficiency of the compounds is Pz2 ˃ Pz1 ˃ Pz3. The shift in corrosion potential ranged from 17 mV to 44 mV with respect to the blank result, suggesting that the compounds exhibited mixed-type inhibitive effects, though with Pzl and Pz2 being predominantly anodic and Pz3 being mainly cathodic in character. The dissolution of steel in the corrosive electrolytes followed a single-charge-transfer mechanism and the inhibitors formed pseudo-capacitive protective film over the steel surface in 1 M HCl. FTIR and UV-vis spectra revealed the interactions between mild steel and the inhibitor molecules, while the SEM plates revealed the morphology of steel surface in the corrosive electrolytes at varying degree of inhibitor concentration, confirming the protection efficiency of the pyridazines on mild steel. DFT calculations showed that Pz2 has the lowest lying unoccupied frontier molecular orbital. Monte Carlo simulations also confirmed highest magnitude of adsorption energy for Pz2 adsorbed on Fe(110) compared to Pz1 and Pz3.en_US
dc.description.sponsorshipResearchers Supporting Project number (RSP-2021/33) of the King Saud University, Riyadh, Saudi Arabia. Authors acknowledge the assistance of the North-West Univer- sity= and the University of South Africa for providing facilities for the research. Authors also acknowledge the funding support from the Researchers Supporting Project number (RSP-2021/33), King Saud University, Riyadh Saudi Arabia. The authors also acknowl- edge the use of computing resources of the Centre for High Perfor- mance and Computing (CHPC), CSIR, South Africa for some of the computational studies.en_US
dc.language.isoenen_US
dc.publisherELSEVIERen_US
dc.subjectPyridazine derivativesen_US
dc.subjectSteel corrosion, electrochemical methodsen_US
dc.subjectDFTen_US
dc.subjectSurface morphologyen_US
dc.subjectAdsorptionen_US
dc.titleAminomethylpyridazine isomers as corrosion inhibitors for mild steel in 1 M HCl: Electrochemical, DFT and Monte Carlo simulation studiesen_US
dc.typeArticleen_US
dc.relation.volume344-
dc.identifier.doi10.1016/j.molliq.2021.117882-
dc.relation.page117882-117882-
dc.relation.journalJOURNAL OF MOLECULAR LIQUIDS-
dc.contributor.googleauthorMashuga, Motsie E.-
dc.contributor.googleauthorOlasunkanmi, Lukman O.-
dc.contributor.googleauthorLgaz, Hassane-
dc.contributor.googleauthorSherif, El-Sayed M.-
dc.contributor.googleauthorEbenso, Eno E.-
dc.relation.code2021005569-
dc.sector.campusE-
dc.sector.daehakOFFICE OF ACADEMIC AFFAIRS[E]-
dc.sector.departmentCENTER FOR CREATIVE CONVERGENCE EDUCATION-
dc.identifier.pidhlgaz-
Appears in Collections:
OFFICE OF ACADEMIC AFFAIRS[E](교무처) > Center for Creative Convergence Education(창의융합교육원) > Articles
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