Corrosion inhibition of carbon steel in hydrochloric acid by cationic arylthiophenes as new eco-friendly inhibitors: Experimental and quantum chemical study

• Published in: Chinese journal of chemical engineering Vol. 40; no. 12; pp. 197 - 217
• Main Authors: Fouda, Abd El-Aziz S., Ismail, Mohamed A., Al-Khamri, Abdulraqeb A., Abousalem, Ashraf S.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01-12-2021; Department of Chemistry,Faculty of Education,Arts and Sciences,University of Saba Region,Marib,Yemen%Department of Chemistry,Faculty of Science,El-Mansoura University,El-Mansoura 35516,Egypt; Quality Control Laboratory,Operations Department,Jotun,Egypt; Department of Chemistry,Faculty of Science,El-Mansoura University,El-Mansoura 35516,Egypt%Department of Chemistry,Faculty of Science,El-Mansoura University,El-Mansoura 35516,Egypt
• Subjects: Adsorption; Arylthiophene derivatives; Carbon steel; Corrosion inhibition; Electrochemical frequency modulation; Polarization; Polarization; Carbon steel; Corrosion inhibition; Adsorption; Electrochemical frequency modulation; Arylthiophene derivatives
• ISSN: 1004-9541; 2210-321X
• DOI: 10.1016/j.cjche.2020.09.073

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This study describes the adsorption behavior of three arylthiophene derivatives namely: 2-(4-amidino-3-fluorophenyl)-5-[4-methoxy phenyl] thiophene dihydrochloride salt (MA-1217), 2-(4-amidinophenyl)-5-[4-chlorophenyl] thiophene dihydrochloride salt (MA-1316) and 2-(4-amidino-3-fluorophenyl)-5-[4-chlorophenyl]thiophene dihydrochloride salt (MA-1312) at C-steel in 1.0 mol·L−1 HCl interface using experimental and theoretical studies. Electrochemical and mass loss measurements showed that the inhibition efficiency (IE) of the arylthiophene derivatives increases with increasing concentrations and exhibited maximum efficiency 89% at 21 × 10−6 mol·L−1 (MA-1217) by mass loss method. The investigated arylthiophene derivatives obey the Langmuir adsorption isotherm. From polarization studies the arylthiophene derivatives act as mixed-type inhibitors. Surface analysis were carried out and discussed. The mode of orientation and adsorption of inhibitor molecules on C-steel surface was studied using molecular dynamics (MD) simulations. Quantum chemical parameters as well as the radial distribution function indices and binding energies confirm the experimental results.