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
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 pr...
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MDPI AG
2018-12-01
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| Online Access: | https://www.mdpi.com/1996-1944/12/1/17 |
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| author | Ambrish Singh Kashif R. Ansari Mumtaz A. Quraishi Hassane Lgaz |
| author_facet | Ambrish Singh Kashif R. Ansari Mumtaz A. Quraishi Hassane Lgaz |
| author_sort | Ambrish Singh |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-13T01:41:05Z |
| format | Article |
| id | doaj.art-a2ec480afde046b0848d48a0ec22708e |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-04-13T01:41:05Z |
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| spelling | doaj.art-a2ec480afde046b0848d48a0ec22708e2022-12-22T03:08:10ZengMDPI AGMaterials1996-19442018-12-011211710.3390/ma12010017ma12010017Effect of Electron Donating Functional Groups on Corrosion Inhibition of J55 Steel in a Sweet Corrosive Environment: Experimental, Density Functional Theory, and Molecular Dynamic SimulationAmbrish Singh0Kashif R. Ansari1Mumtaz A. Quraishi2Hassane Lgaz3School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500, Sichuan, ChinaCentre of Research Excellence in Corrosion, Research Institute, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi ArabiaCentre of Research Excellence in Corrosion, Research Institute, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi ArabiaDepartment of Applied Bioscience, College of Life & Environment Science, Konkuk University, 120 Neungdong-ro, Gwangjin-gu, Seoul 05029, KoreaBenzimidazole 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.https://www.mdpi.com/1996-1944/12/1/17corrosionXPSJ55 steelcarbon dioxidemolecular dynamic simulation |
| spellingShingle | Ambrish Singh Kashif R. Ansari Mumtaz A. Quraishi Hassane Lgaz 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 corrosion XPS J55 steel carbon dioxide molecular dynamic simulation |
| title | 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | corrosion XPS J55 steel carbon dioxide molecular dynamic simulation |
| url | https://www.mdpi.com/1996-1944/12/1/17 |
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