SCI和EI收录∣中国化工学会会刊

中国化学工程学报 ›› 2021, Vol. 40 ›› Issue (12): 197-217.DOI: 10.1016/j.cjche.2020.09.073

• Chemical Engineering Thermodynamics • 上一篇    下一篇

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

Abd El-Aziz S. Fouda1, Mohamed A. Ismail1, Abdulraqeb A. Al-Khamri1,2, Ashraf S. Abousalem1,3   

  1. 1. Department of Chemistry, Faculty of Science, El-Mansoura University, El-Mansoura 35516, Egypt;
    2. Department of Chemistry, Faculty of Education, Arts and Sciences, University of Saba Region, Marib, Yemen;
    3. Quality Control Laboratory, Operations Department, Jotun, Egypt
  • 收稿日期:2020-05-24 修回日期:2020-09-24 出版日期:2021-12-28 发布日期:2022-01-14
  • 通讯作者: Abd El-Aziz S. Fouda,E-mail:asfouda@hotmail.com
  • 基金资助:
    Authors gratefully acknowledge the financial support provided by the Ministry of Higher Education & Scientific Research of Yemen.

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

Abd El-Aziz S. Fouda1, Mohamed A. Ismail1, Abdulraqeb A. Al-Khamri1,2, Ashraf S. Abousalem1,3   

  1. 1. Department of Chemistry, Faculty of Science, El-Mansoura University, El-Mansoura 35516, Egypt;
    2. Department of Chemistry, Faculty of Education, Arts and Sciences, University of Saba Region, Marib, Yemen;
    3. Quality Control Laboratory, Operations Department, Jotun, Egypt
  • Received:2020-05-24 Revised:2020-09-24 Online:2021-12-28 Published:2022-01-14
  • Contact: Abd El-Aziz S. Fouda,E-mail:asfouda@hotmail.com
  • Supported by:
    Authors gratefully acknowledge the financial support provided by the Ministry of Higher Education & Scientific Research of Yemen.

摘要: 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.

关键词: Carbon steel, Corrosion inhibition, Adsorption, Arylthiophene derivatives, Polarization, Electrochemical frequency modulation

Abstract: 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.

Key words: Carbon steel, Corrosion inhibition, Adsorption, Arylthiophene derivatives, Polarization, Electrochemical frequency modulation