Effect of tabebuia heterophylla plant leaves extract on corrosion protection of low carbon steel in 1M HCl medium: Electrochemical, quantum chemical and surface characterization studies.
In the current study the chemical constituents of Tabebuia heterophylla plant leaves extract (THLE) evaluated as corrosion inhibitor for low carbon steel (LCS) in 1 M HCl. The major component present in plant extract was Hexadecanoic acid 2-hydroxy-1-(hydroxymethyl) ethyl ester confirmed by Gas Chro...
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Elsevier
2024-05-01
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| Series: | Results in Surfaces and Interfaces |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666845924000230 |
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| author | Geeta D. Pai Manohar R. Rathod Rajappa S K A.A. Kittur |
| author_facet | Geeta D. Pai Manohar R. Rathod Rajappa S K A.A. Kittur |
| author_sort | Geeta D. Pai |
| collection | DOAJ |
| description | In the current study the chemical constituents of Tabebuia heterophylla plant leaves extract (THLE) evaluated as corrosion inhibitor for low carbon steel (LCS) in 1 M HCl. The major component present in plant extract was Hexadecanoic acid 2-hydroxy-1-(hydroxymethyl) ethyl ester confirmed by Gas Chromatography with Mass spectroscopic (GC-MS) analysis. Electrochemical impedance spectroscopy (EIS), potentiodynamic polarisation (PDP) and weight loss measurements were used to evaluate the THLE ability to protect low-carbon steel surface against corrosion in 1M HCl medium. The maximum inhibition efficiency reported as 95.45%, 93.99% and 94.79% by weight loss measurements, EIS and PDP methods respectively. In the prolongation of the work, the entropy of adsorption (Δ Sa*), enthalpy of adsorption (Δ Ha*), Gibbs free energy of adsorption (Δ Ga*), and activation energy (Ea) of the reaction were calculated. In absence of inhibitor, the Ea value was found to be minimum 49.38 kJ/mol whereas for optimum concentration of THLE it was found to be 77.2 kJ/mol implies more energy is required to undergo corrosion. The surface morphological observation from Scanning Electron Microscope (SEM), Atomic Force Microscopic (AFM) and Contact angle explored the effective adsorption of THLE. AFM values revealed that average surface roughness (Ra) value of LCS is high (188.08), where as in the presence of THLE, Ra values significantly reduced to minimum value of 37.226. Further chemical interactions between THLE and the low-carbon steel surface as well as inhibitory mechanism were further elucidated by theoretical simulations such as Density Functional Theory (DFT) calculations and Molecular dynamics (MD) simulations. |
| first_indexed | 2024-04-25T01:00:43Z |
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| id | doaj.art-97c410cb58d64fb0af5f5758b95830b3 |
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| issn | 2666-8459 |
| language | English |
| last_indexed | 2025-03-21T17:41:45Z |
| publishDate | 2024-05-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Surfaces and Interfaces |
| spelling | doaj.art-97c410cb58d64fb0af5f5758b95830b32024-06-12T04:48:05ZengElsevierResults in Surfaces and Interfaces2666-84592024-05-0115100203Effect of tabebuia heterophylla plant leaves extract on corrosion protection of low carbon steel in 1M HCl medium: Electrochemical, quantum chemical and surface characterization studies.Geeta D. Pai0Manohar R. Rathod1Rajappa S K2A.A. Kittur3Department of Chemistry, Karnatak Science College, Dharwad 580 001, IndiaDepartment of Chemistry, Karnatak Science College, Dharwad 580 001, IndiaDepartment of Chemistry, Karnatak Science College, Dharwad 580 001, India; Corresponding author.Department of Chemistry, SDM College of Engineering and Technology, Dharwad 580 002, IndiaIn the current study the chemical constituents of Tabebuia heterophylla plant leaves extract (THLE) evaluated as corrosion inhibitor for low carbon steel (LCS) in 1 M HCl. The major component present in plant extract was Hexadecanoic acid 2-hydroxy-1-(hydroxymethyl) ethyl ester confirmed by Gas Chromatography with Mass spectroscopic (GC-MS) analysis. Electrochemical impedance spectroscopy (EIS), potentiodynamic polarisation (PDP) and weight loss measurements were used to evaluate the THLE ability to protect low-carbon steel surface against corrosion in 1M HCl medium. The maximum inhibition efficiency reported as 95.45%, 93.99% and 94.79% by weight loss measurements, EIS and PDP methods respectively. In the prolongation of the work, the entropy of adsorption (Δ Sa*), enthalpy of adsorption (Δ Ha*), Gibbs free energy of adsorption (Δ Ga*), and activation energy (Ea) of the reaction were calculated. In absence of inhibitor, the Ea value was found to be minimum 49.38 kJ/mol whereas for optimum concentration of THLE it was found to be 77.2 kJ/mol implies more energy is required to undergo corrosion. The surface morphological observation from Scanning Electron Microscope (SEM), Atomic Force Microscopic (AFM) and Contact angle explored the effective adsorption of THLE. AFM values revealed that average surface roughness (Ra) value of LCS is high (188.08), where as in the presence of THLE, Ra values significantly reduced to minimum value of 37.226. Further chemical interactions between THLE and the low-carbon steel surface as well as inhibitory mechanism were further elucidated by theoretical simulations such as Density Functional Theory (DFT) calculations and Molecular dynamics (MD) simulations.http://www.sciencedirect.com/science/article/pii/S2666845924000230Tabebuia heterophyllaLow carbon steelTafel plotsCorrosion currentDFT |
| spellingShingle | Geeta D. Pai Manohar R. Rathod Rajappa S K A.A. Kittur Effect of tabebuia heterophylla plant leaves extract on corrosion protection of low carbon steel in 1M HCl medium: Electrochemical, quantum chemical and surface characterization studies. Results in Surfaces and Interfaces Tabebuia heterophylla Low carbon steel Tafel plots Corrosion current DFT |
| title | Effect of tabebuia heterophylla plant leaves extract on corrosion protection of low carbon steel in 1M HCl medium: Electrochemical, quantum chemical and surface characterization studies. |
| title_full | Effect of tabebuia heterophylla plant leaves extract on corrosion protection of low carbon steel in 1M HCl medium: Electrochemical, quantum chemical and surface characterization studies. |
| title_fullStr | Effect of tabebuia heterophylla plant leaves extract on corrosion protection of low carbon steel in 1M HCl medium: Electrochemical, quantum chemical and surface characterization studies. |
| title_full_unstemmed | Effect of tabebuia heterophylla plant leaves extract on corrosion protection of low carbon steel in 1M HCl medium: Electrochemical, quantum chemical and surface characterization studies. |
| title_short | Effect of tabebuia heterophylla plant leaves extract on corrosion protection of low carbon steel in 1M HCl medium: Electrochemical, quantum chemical and surface characterization studies. |
| title_sort | effect of tabebuia heterophylla plant leaves extract on corrosion protection of low carbon steel in 1m hcl medium electrochemical quantum chemical and surface characterization studies |
| topic | Tabebuia heterophylla Low carbon steel Tafel plots Corrosion current DFT |
| url | http://www.sciencedirect.com/science/article/pii/S2666845924000230 |
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