Adsorption characteristics of green 5-arylaminomethylene pyrimidine- 2,4,6-triones on mild steel surface in acidic medium: Experimental and computational approach

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dc.contributor.authorChandrabhan, Verma
dc.contributor.authorLukman.O, Olasunkanmi
dc.contributor.authorEno.E, Ebenso
dc.contributor.authorM.A, Quraishi
dc.date.accessioned2020-01-17T09:27:53Z
dc.date.available2020-01-17T09:27:53Z
dc.date.issued2018-01-10
dc.descriptionResults in Physics, 8 (2018) 657–670en_US
dc.description.abstractThe effect of electron withdrawing nitro (–NO2) and electron releasing hydroxyl (–OH) groups on corrosion inhibition potentials of 5-arylaminomethylenepyrimidine-2,4,6-trione (AMP) had been studied. Four AMPs tagged AMP-1, AMP-2, AMP-3 and AMP-4 were studied for their ability to inhibit mild steel corrosion in 1 M HCl using experimental and theoretical methods. Gravimetric results showed that inhibition efficiency of the studied inhibitors increases with increasing concentration. The results further revealed that that electron withdrawing nitro (–NO2) group decreases the inhibition efficiency of AMP, while electron donating hydroxyl (–OH) group increases the inhibition efficiency of AMP. SEM and AFM studies showed that the studied compounds inhibit mild steel corrosion by adsorbing at the metal/electrolyte interface and their adsorption obeyed the Temkin adsorption isotherm. Potentiodynamic polarization study revealed that studied inhibitors act as mixed type inhibitors with predominant effect on cathodic reaction. The inhibitive strength of the compounds might have direct relationship electron donating ability of the molecules as revealed by quantum chemical parameters. The order of interaction energies derived from Monte Carlo simulations is AMP-4 > AMP-3 > AMP-2 > AMP-1, which is in agreement with the order of inhibition efficiencies obtained from experimental measurements.en_US
dc.identifier.otherhttps://doi.org/10.1016/j.rinp.2018.01.008
dc.identifier.urihttps://ir.oauife.edu.ng/handle/123456789/5072
dc.language.isoenen_US
dc.publisherElsevier B.Ven_US
dc.subjectLangmuir adsorption isothermen_US
dc.subjectTheoretical studiesen_US
dc.subjectAcid solutionsen_US
dc.subjectMulticomponent reactionsen_US
dc.subjectGreen corrosion inhibitorsen_US
dc.titleAdsorption characteristics of green 5-arylaminomethylene pyrimidine- 2,4,6-triones on mild steel surface in acidic medium: Experimental and computational approachen_US
dc.typeJournalen_US
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