Synthesis of a novel pyrazole heterocyclic derivative as corrosion inhibitor for low-carbon steel in 1M HCl: Characterization, gravimetrical, electrochemical, mathematical, and quantum chemical investigations
A novel organic corrosion inhibitor, named 3, 5-dimethyl-1H-pyrazol-1-yl m (4-((4-hydroxybenzylidene) amino) phenyl) methanone (DPHM) has been effectively synthesized and characterized. The diagnosis of functional groups and constituents of DPHM has been conducted by FTIR, 1H NMR, and 13C NMR. The i...
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| Format: | Article |
| Language: | English |
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Elsevier
2022-09-01
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| Series: | Results in Engineering |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590123022002432 |
| _version_ | 1828406517155495936 |
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| author | Ali Shareef Jasim Khalid H. Rashid Khalida F. AL-Azawi Anees A. Khadom |
| author_facet | Ali Shareef Jasim Khalid H. Rashid Khalida F. AL-Azawi Anees A. Khadom |
| author_sort | Ali Shareef Jasim |
| collection | DOAJ |
| description | A novel organic corrosion inhibitor, named 3, 5-dimethyl-1H-pyrazol-1-yl m (4-((4-hydroxybenzylidene) amino) phenyl) methanone (DPHM) has been effectively synthesized and characterized. The diagnosis of functional groups and constituents of DPHM has been conducted by FTIR, 1H NMR, and 13C NMR. The inhibitor efficacy for low-carbon steel in 1 M HCl was evaluated by using weight loss and electrochemical techniques. The inhibition efficiency was increased with increasing the temperature and DPHM concentrations. The inhibition efficiency approaches a maximum value of 89.5% at 400 ppm of DPHM and 60 °C. The efficiency of the inhibitor was attributed to the formation of a protective mono-layer on the steel surface. The Langmuir adsorption isotherm was used to inspect the adsorption process mechanism. Theoretical quantum chemical simulations were used to investigate the mechanism of inhibition. The results revealed that the DPHM was the donor of electron, while the steel surface was an electron acceptor. Mathematical and statistical modelling were used as powerful tool for data representation. Exponential model, with 0.992 correlation coefficient, was the most accurate one. |
| first_indexed | 2024-12-10T11:12:48Z |
| format | Article |
| id | doaj.art-467d448096de4f50815fd7ad1b992225 |
| institution | Directory Open Access Journal |
| issn | 2590-1230 |
| language | English |
| last_indexed | 2024-12-10T11:12:48Z |
| publishDate | 2022-09-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Engineering |
| spelling | doaj.art-467d448096de4f50815fd7ad1b9922252022-12-22T01:51:20ZengElsevierResults in Engineering2590-12302022-09-0115100573Synthesis of a novel pyrazole heterocyclic derivative as corrosion inhibitor for low-carbon steel in 1M HCl: Characterization, gravimetrical, electrochemical, mathematical, and quantum chemical investigationsAli Shareef Jasim0Khalid H. Rashid1Khalida F. AL-Azawi2Anees A. Khadom3Department of Chemical Engineering, University of Technology-Iraq, Baghdad, IraqDepartment of Chemical Engineering, University of Technology-Iraq, Baghdad, IraqApplied Chemistry Division, Applied Science Department, University of Technology, IraqDepartment of Chemical Engineering, College of Engineering, University of Diyala -Baquba City 32001, Daiyla Governorate, Iraq; Corresponding author.A novel organic corrosion inhibitor, named 3, 5-dimethyl-1H-pyrazol-1-yl m (4-((4-hydroxybenzylidene) amino) phenyl) methanone (DPHM) has been effectively synthesized and characterized. The diagnosis of functional groups and constituents of DPHM has been conducted by FTIR, 1H NMR, and 13C NMR. The inhibitor efficacy for low-carbon steel in 1 M HCl was evaluated by using weight loss and electrochemical techniques. The inhibition efficiency was increased with increasing the temperature and DPHM concentrations. The inhibition efficiency approaches a maximum value of 89.5% at 400 ppm of DPHM and 60 °C. The efficiency of the inhibitor was attributed to the formation of a protective mono-layer on the steel surface. The Langmuir adsorption isotherm was used to inspect the adsorption process mechanism. Theoretical quantum chemical simulations were used to investigate the mechanism of inhibition. The results revealed that the DPHM was the donor of electron, while the steel surface was an electron acceptor. Mathematical and statistical modelling were used as powerful tool for data representation. Exponential model, with 0.992 correlation coefficient, was the most accurate one.http://www.sciencedirect.com/science/article/pii/S2590123022002432SteelCorrosionInhibitionSynthesisFTIRElectrochemical |
| spellingShingle | Ali Shareef Jasim Khalid H. Rashid Khalida F. AL-Azawi Anees A. Khadom Synthesis of a novel pyrazole heterocyclic derivative as corrosion inhibitor for low-carbon steel in 1M HCl: Characterization, gravimetrical, electrochemical, mathematical, and quantum chemical investigations Results in Engineering Steel Corrosion Inhibition Synthesis FTIR Electrochemical |
| title | Synthesis of a novel pyrazole heterocyclic derivative as corrosion inhibitor for low-carbon steel in 1M HCl: Characterization, gravimetrical, electrochemical, mathematical, and quantum chemical investigations |
| title_full | Synthesis of a novel pyrazole heterocyclic derivative as corrosion inhibitor for low-carbon steel in 1M HCl: Characterization, gravimetrical, electrochemical, mathematical, and quantum chemical investigations |
| title_fullStr | Synthesis of a novel pyrazole heterocyclic derivative as corrosion inhibitor for low-carbon steel in 1M HCl: Characterization, gravimetrical, electrochemical, mathematical, and quantum chemical investigations |
| title_full_unstemmed | Synthesis of a novel pyrazole heterocyclic derivative as corrosion inhibitor for low-carbon steel in 1M HCl: Characterization, gravimetrical, electrochemical, mathematical, and quantum chemical investigations |
| title_short | Synthesis of a novel pyrazole heterocyclic derivative as corrosion inhibitor for low-carbon steel in 1M HCl: Characterization, gravimetrical, electrochemical, mathematical, and quantum chemical investigations |
| title_sort | synthesis of a novel pyrazole heterocyclic derivative as corrosion inhibitor for low carbon steel in 1m hcl characterization gravimetrical electrochemical mathematical and quantum chemical investigations |
| topic | Steel Corrosion Inhibition Synthesis FTIR Electrochemical |
| url | http://www.sciencedirect.com/science/article/pii/S2590123022002432 |
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