Corrosion Inhibition of Mild Steel in Acidic Media by Expired Carbimazole Drug

نویسندگان

چکیده

ABSTRACT 
 The efficiency of the anti-thyroid, Carbimazole, expired drug, (CD), as corrosion inhibitor for mild steel in 0.5MHCl was investigated by weight loss method. Data obtained from measurement were analysed, and results show that, used Carbimazole drug a good inhibitor. inhibition increases with increasing concentration CD reached maximum value 84.95% at 30 OC 100 ppm adsorption isotherm obeyed Langmuir isotherm. Quantum chemical calculations based on density function theory, DFT, performed drug. Calculated parameters such highest occupied molecular orbital energy (EHOMO), lowest unoccupied (ELUMO), gap (ΔE), dipole moment (µ), electronegativity (), electron affinity (A), global hardness (η), softness (σ) ionization potential (I), calculated correlated to experimental data.

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ژورنال

عنوان ژورنال: ???? ?????? ?????? ??????????

سال: 2021

ISSN: ['2708-8251', '2521-9200']

DOI: https://doi.org/10.51984/jopas.v20i2.1646