The anti-corrosion potency of 8-(4-methoxyphenyl)-3,6-dioxo-2-(p-tolyl)-3,6-dihydro-2H-thiazolo[3′,2′:2,3][1,2,4]triazolo[1,5-a]pyrimidine-7-carbonitrile (HTPC) was studied by electrochemical experiment measurements complemented by surface analysis using scanning electron microscopy. The DFT method is used to generate Frontier Molecular Orbitals. The study of interatomic interactions at the [MS (Fe (110))]/HTPC level was used using molecular dynamics (MD) simulation. The findings obtain by the electrochemical studies show that HTPC is effective against corrosion of mild steel in 1 M HCl medium with inhibiting efficiency obtained has a maximum value of 87.8% for HTPC concentration. The mixed-type corrosion inhibition mechanism of HTPC inhibitor was revealed by the potentio-dynamic polarization measurements at 303 K. Langmuir adsorption model illustrates that the adsorption of HTPC is mixed adsorption. The corrosion inhibition mechanism is explained by quantum chemical computations, molecular dynamics simulation and Mean Square Displacement.

Title

Ismail

Publisher

warad

Publisher Country

Palestine

Publication Type

Prtinted only

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Year

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