Experimental and computational study for X-65 steel corrosion mitigation effect of a synthesized cationic surfactant in 1 M HCl.

Ahmed, Ahmed Reda; ElBasiouny, Nasser; Attia, Sadeek; Migahed, Mohamed

doi:10.21608/bfszu.2021.54440.1052

Experimental and computational study for X-65 steel corrosion mitigation effect of a synthesized cationic surfactant in 1 M HCl.

Articles in Press

Document Type : Original Article

Authors

¹ chemistry, Faculty of science, Zagazig University

² Egyptian Petroleum Research Institute, Nasr City 11727, Cairo, Egypt

³ Chemistry Department, Faculty of Science, Zagazig University, Zagazig 44519, Egypt

10.21608/bfszu.2021.54440.1052

Abstract

New cationic surfactant, named as N-(2-hydroxypropyl)-N, N-dimethyldodecan-1-aminium bromide (DPC12), was prepared, followed by characterization using FT-IR and 1HNMR spectroscopic techniques. DPC12 performance evaluated by several electrochemical analyses, including potentiodynamic polarization and AC impedance methods, confirmed the inhibition proprieties of the prepared cationic surfactant. Tafel curves presented that the prepared DPC12 served as a corrosion inhibitor with mixed-type. Inhibition efficiency is directly proportional to cationic surfactant concentration. By increasing concentration, efficiency increases until reaching 72.27% at 10-4M. DPC12 inhibition action was due to its adsorption over X65 surface and followed Langmuir isotherm model having chemisorption adsorption mode as provided by values of standard free energy (ΔG°ads).cationic adsorption affinity over X-65 steel corrosion in HCl (1 M) was proved via surface morphology studies with SEM analyses. Finally, the quantum chemical calculations supported the experimental findings with Materials Studio software 6.0 using density function (DFT) theory and monte carlo molecular simulation technique (MC).

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