Quantum chemical elucidation on corrosion inhibition efficiency of Schiff base: DFT investigations supported by weight loss and SEM techniques | Zendy

Ahmed A. AlAmiery | Zendy; Taghried A. Salman | Zendy; Khalida F. Al-Azawi | Zendy; Lina M. Shaker | Zendy; Abdul Amir H. Kadhum | Zendy; Mohd Sobri Takriff | Zendy

Open Access

Quantum chemical elucidation on corrosion inhibition efficiency of Schiff base: DFT investigations supported by weight loss and SEM techniques

Author(s) -

Ahmed A. AlAmiery,

Taghried A. Salman,

Khalida F. Al-Azawi,

Lina M. Shaker,

Abdul Amir H. Kadhum,

Mohd Sobri Takriff

Publication year - 2019

Publication title -

international journal of low-carbon technologies

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.458

H-Index - 26

eISSN - 1748-1325

pISSN - 1748-1317

DOI - 10.1093/ijlct/ctz074

Subject(s) - physisorption , chemisorption , adsorption , hydrochloric acid , density functional theory , schiff base , chemistry , corrosion , pyridine , langmuir adsorption model , corrosion inhibitor , inorganic chemistry , nuclear chemistry , computational chemistry , organic chemistry , stereochemistry

The corrosion inhibition of Schiff base, namely 2-((2-hydroxy-5-methoxybenzylidene)amino)pyridine (HMAP), for mild steel (MS) in a 1 M hydrochloric acid environment was investigated by means of weight loss and scanning electron microscopy techniques. Quantum chemical calculation based on density functional theory (DFT) was carried out on HMAP. Results illustrated that HMAP is a superior inhibitor for the corrosion of MS in 1.0M hydrochloric acid environment, and inhibition efficiency is higher than 90.0% at 0.5 g/L HMAP. Inhibition performance increases with regard to concentration increase and inhibition performance decreases when raising temperature. Adsorption of the inhibitor on the MS surface followed Langmuir adsorption isotherm and the value of the free energy of adsorption; ΔGads indicated that the adsorption of HMAP was a physisorption/chemisorption process. The DFT refers to perfect correlation with methodological inhibition performance.

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