Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution
A novel bis-phenylurea-based aliphatic amine (BPUA) was prepared via a facile synthetic route, and evaluated as a potential green organic corrosion inhibitor for carbon steel in 1.0 M HCl solutions. NMR spectroscopy experiments confirmed the preparation of the targeted structure. The corrosion inhib...
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| المؤلف الرئيسي: | |
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| مؤلفون آخرون: | , , , , , , |
| التنسيق: | article |
| منشور في: |
2023
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| الموضوعات: | |
| الوصول للمادة أونلاين: | http://dx.doi.org/10.1016/j.heliyon.2023.e20254 https://www.sciencedirect.com/science/article/pii/S2405844023074625 http://hdl.handle.net/10576/51014 |
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| _version_ | 1857415084967460864 |
|---|---|
| author | Mohanad, Shkoor |
| author2 | Jalab, Rem Khaled, Mazen Shawkat, Tahseen S. Korashy, Hesham M. Saad, Mohamed Su, Haw-Lih Bani-Yaseen, Abdulilah Dawoud |
| author2_role | author author author author author author author |
| author_facet | Mohanad, Shkoor Jalab, Rem Khaled, Mazen Shawkat, Tahseen S. Korashy, Hesham M. Saad, Mohamed Su, Haw-Lih Bani-Yaseen, Abdulilah Dawoud |
| author_role | author |
| dc.creator.none.fl_str_mv | Mohanad, Shkoor Jalab, Rem Khaled, Mazen Shawkat, Tahseen S. Korashy, Hesham M. Saad, Mohamed Su, Haw-Lih Bani-Yaseen, Abdulilah Dawoud |
| dc.date.none.fl_str_mv | 2023-10-31 2024-01-22T07:11:01Z |
| dc.format.none.fl_str_mv | application/pdf |
| dc.identifier.none.fl_str_mv | http://dx.doi.org/10.1016/j.heliyon.2023.e20254 Shkoor, M., Jalab, R., Khaled, M., Shawkat, T. S., Korashy, H. M., Saad, M., ... & Bani-Yaseen, A. D. (2023). Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution. Heliyon, 9(10). 24058440 https://www.sciencedirect.com/science/article/pii/S2405844023074625 http://hdl.handle.net/10576/51014 10 9 |
| dc.language.none.fl_str_mv | en |
| dc.publisher.none.fl_str_mv | Elsevier |
| dc.rights.none.fl_str_mv | http://creativecommons.org/licenses/by/4.0/ info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Green corrosion inhibitor Bis-phenylurea aliphatic amine Carbon steel Adsorption isotherm Electrochemical measurements Density functional theory |
| dc.title.none.fl_str_mv | Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution |
| dc.type.none.fl_str_mv | Article info:eu-repo/semantics/publishedVersion info:eu-repo/semantics/article |
| description | A novel bis-phenylurea-based aliphatic amine (BPUA) was prepared via a facile synthetic route, and evaluated as a potential green organic corrosion inhibitor for carbon steel in 1.0 M HCl solutions. NMR spectroscopy experiments confirmed the preparation of the targeted structure. The corrosion inhibitory behavior of the prospective green compound was explored experimentally by electrochemical methods and theoretically by DFT-based quantum chemical calculations. Obtained results revealed an outstanding performance of BPUA, with efficiency of 95.1% at the inhibitor concentration of 50 mg L−1 at 25 °C. The novel compound has improved the steel resistivity and noticeably reduced the corrosion rate from 33 to 1.7 mils per year. Furthermore, the adsorption study elucidates that the mechanism of the corrosion inhibition activity obeys Langmuir isotherm with mixed physisorption/chemisorption modes for BPUA derivatives on the steel surface. Calculated Gibb's free energy of the adsorption process ranges from −35 to −37 kJ mol−1.The SEM morphology analysis validates the electrochemical measurements and substantiates the corrosion-inhibiting properties of BPUA. Additionally, the eco-toxicity assessment on human epithelial MCF-10A cells proved the environmental friendliness of the BPUA derivatives. Density functional theory (DFT) calculations correlated the inhibitor's chemical structure with the corresponding inhibitory behavior. Quantum descriptors disclosed the potentiality of BPUA adsorption onto the surface through the heteroatom-based functional groups and aromatic rings. |
| eu_rights_str_mv | openAccess |
| format | article |
| id | qu_ff3dfdf5a98d2596c2362286da77c6ec |
| identifier_str_mv | Shkoor, M., Jalab, R., Khaled, M., Shawkat, T. S., Korashy, H. M., Saad, M., ... & Bani-Yaseen, A. D. (2023). Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution. Heliyon, 9(10). 24058440 10 9 |
| language_invalid_str_mv | en |
| network_acronym_str | qu |
| network_name_str | Qatar University repository |
| oai_identifier_str | oai:qspace.qu.edu.qa:10576/51014 |
| publishDate | 2023 |
| publisher.none.fl_str_mv | Elsevier |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | http://creativecommons.org/licenses/by/4.0/ |
| spelling | Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solutionMohanad, ShkoorJalab, RemKhaled, MazenShawkat, Tahseen S.Korashy, Hesham M.Saad, MohamedSu, Haw-LihBani-Yaseen, Abdulilah DawoudGreen corrosion inhibitorBis-phenylurea aliphatic amineCarbon steelAdsorption isothermElectrochemical measurementsDensity functional theoryA novel bis-phenylurea-based aliphatic amine (BPUA) was prepared via a facile synthetic route, and evaluated as a potential green organic corrosion inhibitor for carbon steel in 1.0 M HCl solutions. NMR spectroscopy experiments confirmed the preparation of the targeted structure. The corrosion inhibitory behavior of the prospective green compound was explored experimentally by electrochemical methods and theoretically by DFT-based quantum chemical calculations. Obtained results revealed an outstanding performance of BPUA, with efficiency of 95.1% at the inhibitor concentration of 50 mg L−1 at 25 °C. The novel compound has improved the steel resistivity and noticeably reduced the corrosion rate from 33 to 1.7 mils per year. Furthermore, the adsorption study elucidates that the mechanism of the corrosion inhibition activity obeys Langmuir isotherm with mixed physisorption/chemisorption modes for BPUA derivatives on the steel surface. Calculated Gibb's free energy of the adsorption process ranges from −35 to −37 kJ mol−1.The SEM morphology analysis validates the electrochemical measurements and substantiates the corrosion-inhibiting properties of BPUA. Additionally, the eco-toxicity assessment on human epithelial MCF-10A cells proved the environmental friendliness of the BPUA derivatives. Density functional theory (DFT) calculations correlated the inhibitor's chemical structure with the corresponding inhibitory behavior. Quantum descriptors disclosed the potentiality of BPUA adsorption onto the surface through the heteroatom-based functional groups and aromatic rings.The support from Qatar University is gratefully acknowledged especially the Department of Chemistry and Earth Sciences and the Gas Processing Center. We also thank the Central Laboratories Unit, Qatar University for their support in material characterization. The primary computations were conducted using the advanced computational resources available at the supercomputing center located at Texas A&M University in Qatar. Open Access funding provided by the Qatar National Library.Elsevier2024-01-22T07:11:01Z2023-10-31Articleinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://dx.doi.org/10.1016/j.heliyon.2023.e20254Shkoor, M., Jalab, R., Khaled, M., Shawkat, T. S., Korashy, H. M., Saad, M., ... & Bani-Yaseen, A. D. (2023). Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution. Heliyon, 9(10).24058440https://www.sciencedirect.com/science/article/pii/S2405844023074625http://hdl.handle.net/10576/51014109enhttp://creativecommons.org/licenses/by/4.0/info:eu-repo/semantics/openAccessoai:qspace.qu.edu.qa:10576/510142024-07-23T15:52:31Z |
| spellingShingle | Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution Mohanad, Shkoor Green corrosion inhibitor Bis-phenylurea aliphatic amine Carbon steel Adsorption isotherm Electrochemical measurements Density functional theory |
| status_str | publishedVersion |
| title | Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution |
| title_full | Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution |
| title_fullStr | Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution |
| title_full_unstemmed | Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution |
| title_short | Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution |
| title_sort | Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution |
| topic | Green corrosion inhibitor Bis-phenylurea aliphatic amine Carbon steel Adsorption isotherm Electrochemical measurements Density functional theory |
| url | http://dx.doi.org/10.1016/j.heliyon.2023.e20254 https://www.sciencedirect.com/science/article/pii/S2405844023074625 http://hdl.handle.net/10576/51014 |