Effect of Electron Donating Functional Groups on Corrosion Inhibition of J55 Steel in a Sweet Corrosive Environment: Experimental, Density Functional Theory, and Molecular Dynamic Simulation

Ambrish Singh; Kashif R Ansari; Mumtaz A Quraishi; Hassane Lgaz

doi:10.3390/ma12010017

Effect of Electron Donating Functional Groups on Corrosion Inhibition of J55 Steel in a Sweet Corrosive Environment: Experimental, Density Functional Theory, and Molecular Dynamic Simulation

Materials (Basel). 2018 Dec 21;12(1):17. doi: 10.3390/ma12010017.

Authors

Ambrish Singh^{1

2}, Kashif R Ansari³, Mumtaz A Quraishi⁴, Hassane Lgaz⁵

Affiliations

¹ School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500, Sichuan, China. 201699010016@swpu.edu.cn.
² State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Chengdu 610500, Sichuan, China. 201699010016@swpu.edu.cn.
³ Centre of Research Excellence in Corrosion, Research Institute, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia. Ka3787@gmail.com.
⁴ Centre of Research Excellence in Corrosion, Research Institute, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia. maquraishi.apc@iitbhu.ac.in.
⁵ Department of Applied Bioscience, College of Life & Environment Science, Konkuk University, 120 Neungdong-ro, Gwangjin-gu, Seoul 05029, Korea. lgaz.hassane@gmail.com.

Abstract

Benzimidazole derivatives were synthesized, characterized, and tested as a corrosion inhibitor for J55 steel in a 3.5 wt % NaCl solution saturated with carbon dioxide. The experimental results revealed that inhibitors are effective for steel protection, with an inhibition efficiency of 94% in the presence of 400 mg/L of inhibitor. The adsorption of the benzimidazole derivatives on J55 steel was found to obey Langmuir's adsorption isotherm. The addition of inhibitors decreases the cathodic as well anodic current densities and significantly strengthens impedance parameters. X-ray photoelectron spectroscopy (XPS) was used for steel surface characterization. Density functional theory (DFT) and molecular dynamic simulation (MD) were applied for theoretical studies.

Keywords: J55 steel; XPS; carbon dioxide; corrosion; molecular dynamic simulation.