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Respected Speaker for CAT 2021 Conference - Aliouane Nabila
Aliouane Nabila
Bejaia University, Algeria
Title : Quantum chemical calculations and inhibitive properties of ETPA as corrosion inhibitor for carbon steel in 3%NaCl solution


Quantum chemical calculations based on the density functional theory (DFT) method [1, 2] given by the B3LYP/6-31(d.p) were performed on {ethylene bis [(2-hydroxy-5, 1, 3-phenylene) bis methylene]} tetraphosphonic acid (ETPA), act as corrosion inhibitors for carbon steel in 3% NaCl solution, aiming to analyze the characteristics of the inhibitor/surface mechanism as well as to analyze the experimental data and to describe the structural nature of the inhibitor on the corrosion process. The relationship between the molecular structure of ETPA and their inhibition efficiencies was discussed.


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