Abstract

A Theoretical Approach to the Study of Some Plant Extracts as Green Corrosion Inhibitor for Mild Steel in Hcl Solution

Ambrish Singh^*, Ashish Kumar and Tanay Pramanik

Abstract:

The plant extracts are environmental friendly, biodegradable, nontoxic, cheap and easily available source of material which can successively be used as corrosion inhibitor for mild steel in acid media. The effect of the plant extracts was investigated by theoretical approach. Highest Occupied Molecular Orbital (HOMO), Lowest Unoccupied Molecular Orbital (LUMO), Dipole Moment, Mulliken charges on heteroatoms and Molecular Volume were calculated and interpreted. Quantum chemical calculations revealed the adsorption of molecules onto the surface.

Keywords:

Mild Steel; Corrosion inhibition; Plant extract; Quantum Chemical Calculations

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