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<p>The novelty lies in the first-time use of Nyctanthes arbour-tristis (Rat Ki Rani) leaf extract as a green corrosion inhibitor for zinc in acidic media, supported by combined experimental and theoretical approaches to confirm its efficiency and adsorption mechanism. In this study, the ethanolic extract from Rat rani leaves (RRE), an economical and eco-friendly natural product, was employed as a novel green corrosion inhibitor for zinc within 0.05–0.1&#xa0;M HCl solution. To investigate metal corrosion behaviours, weight loss, potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) methods were employed. These approaches were utilized to assess the effects of different concentrations of RRE under various experimental conditions, both with and without its presence. The study revealed that the inhibition efficiency increases with the concentration of the extract but declines as the temperature rises from 303 to 333&#xa0;K. The maximum inhibition efficiency of 96.55% was observed at 303&#xa0;K with an extract dosage of 2.0&#xa0;g/L. PDP analysis indicated that RRE acts as a mixed-type inhibitor, influencing both anodic and cathodic reactions. EIS results, represented by the Nyquist plot, demonstrated a decrease in double-layer capacitance (C<sub>dl</sub>) from 2.3196 to 0.1549 µFcm⁻<sup>2</sup> and a corresponding increase in charge transfer resistance (R<sub>ct</sub>) from 240.87 to 3851.20 Ω cm<sup>2</sup> with increasing RRE concentration, signifying enhanced corrosion resistance. It adheres to a Langmuir adsorption isotherm model, suggesting the formation of a monolayer when RRE covers the surface associated with metal adsorption. The thermodynamic activation parameters for RRE-treated zinc were significantly higher than those for the untreated sample. Surface investigations using SEM/EDX and AFM demonstrated that RRE forms a protective barrier, dropping the zinc metal surface interaction with the corrosive medium. Significant interactions between the functional groups of RRE extract and the zinc substrate were further verified by FTIR and GC–MS analysis, which strengthened the protective effect. Density functional theory (DFT) was used to evaluate their inhibitive performance, while molecular dynamics (MD) simulations provided a more detailed theoretical analysis. Experimental (weight loss, PDP, EIS, SEM/EDX, AFM) and theoretical (DFT, MD) methods confirmed RRE’s high efficiency, recommending it as a promising green corrosion inhibitor.</p> Graphical Abstract <p></p>

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Sustainable Zinc Corrosion Protection in Acidic Media via Ethanolic Nyctanthes Arbour-Tristis Leaf Extract: A Combined Theoretical and Experimental Study

  • 期刊论文

  • 发表日期：

    2025年9月1日

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  • Bhumika B. Parmar,
  • P. S. Desai

摘要

The novelty lies in the first-time use of Nyctanthes arbour-tristis (Rat Ki Rani) leaf extract as a green corrosion inhibitor for zinc in acidic media, supported by combined experimental and theoretical approaches to confirm its efficiency and adsorption mechanism. In this study, the ethanolic extract from Rat rani leaves (RRE), an economical and eco-friendly natural product, was employed as a novel green corrosion inhibitor for zinc within 0.05–0.1 M HCl solution. To investigate metal corrosion behaviours, weight loss, potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) methods were employed. These approaches were utilized to assess the effects of different concentrations of RRE under various experimental conditions, both with and without its presence. The study revealed that the inhibition efficiency increases with the concentration of the extract but declines as the temperature rises from 303 to 333 K. The maximum inhibition efficiency of 96.55% was observed at 303 K with an extract dosage of 2.0 g/L. PDP analysis indicated that RRE acts as a mixed-type inhibitor, influencing both anodic and cathodic reactions. EIS results, represented by the Nyquist plot, demonstrated a decrease in double-layer capacitance (Cdl) from 2.3196 to 0.1549 µFcm⁻2 and a corresponding increase in charge transfer resistance (Rct) from 240.87 to 3851.20 Ω cm2 with increasing RRE concentration, signifying enhanced corrosion resistance. It adheres to a Langmuir adsorption isotherm model, suggesting the formation of a monolayer when RRE covers the surface associated with metal adsorption. The thermodynamic activation parameters for RRE-treated zinc were significantly higher than those for the untreated sample. Surface investigations using SEM/EDX and AFM demonstrated that RRE forms a protective barrier, dropping the zinc metal surface interaction with the corrosive medium. Significant interactions between the functional groups of RRE extract and the zinc substrate were further verified by FTIR and GC–MS analysis, which strengthened the protective effect. Density functional theory (DFT) was used to evaluate their inhibitive performance, while molecular dynamics (MD) simulations provided a more detailed theoretical analysis. Experimental (weight loss, PDP, EIS, SEM/EDX, AFM) and theoretical (DFT, MD) methods confirmed RRE’s high efficiency, recommending it as a promising green corrosion inhibitor.

Graphical Abstract