Exploring the dual aspects of Sapindus mukorossi pod as a novel sustainable biosurfactant-based corrosion inhibitor for carbon steel in saline environment: An experimental and theoretical insights
Monisha Ravi, Abigail Jennifer G, Elumalai Varathan, Arockia Selvi J
{"title":"Exploring the dual aspects of Sapindus mukorossi pod as a novel sustainable biosurfactant-based corrosion inhibitor for carbon steel in saline environment: An experimental and theoretical insights","authors":"Monisha Ravi, Abigail Jennifer G, Elumalai Varathan, Arockia Selvi J","doi":"10.1016/j.molstruc.2025.142065","DOIUrl":null,"url":null,"abstract":"<div><div>In this study, a novel application of the ethanolic extract of <em>Sapindus mukorossi</em> pod (SmPE) was investigated as a biosurfactant-based corrosion inhibitor for carbon steel (CS) against both electrochemical and microbiologically influenced corrosion (MIC) in a saline medium (3.5 % NaCl). Gas chromatography-mass spectrometry (GC–MS) identified cis-vaccenic acid as the primary active phytochemical in SmPE, which acts as a biosurfactant molecule. The corrosion inhibitive performance of SmPE on CS was evaluated with varying concentrations ranging from 50<span><math><mo>−</mo></math></span>400 ppm by gravimetric analysis and electrochemical techniques such as Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization (PDP). The results revealed that inhibition efficiency (IE %) increased with SmPE concentration, reaching a maximum of 96.9 % at the critical micelle concentration (CMC) of 250 ppm, accompanied by a minimal corrosion rate (CR) of 0.0062 mm/y. The CMC was confirmed by a distinct change in electrochemical parameters at this concentration. PDP analysis indicated that SmPE functions as a mixed-type inhibitor. Surface characterization via Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy (SEM-EDX), Fourier Transform Infrared Spectroscopy (FT-IR), Atomic Force Microscopy (AFM), and X-ray Photoelectron Spectroscopy (XPS) confirmed the adsorption of SmPE molecules on the CS surface. Ultraviolet-visible (UV–vis) spectroscopy demonstrated complex formation between Fe²⁺ ions and the inhibitor. Density Functional Theory (DFT) calculations provided a theoretical understanding of the inhibitor's interaction with the CS surface. Additionally, SmPE exhibited notable biocidal activity against MIC, with a biocidal efficiency (BE %) of 94.40 ± 0.90 % at 250 ppm, as determined by Colony Forming Units (CFU) assay.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1337 ","pages":"Article 142065"},"PeriodicalIF":4.0000,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Structure","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022286025007501","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
In this study, a novel application of the ethanolic extract of Sapindus mukorossi pod (SmPE) was investigated as a biosurfactant-based corrosion inhibitor for carbon steel (CS) against both electrochemical and microbiologically influenced corrosion (MIC) in a saline medium (3.5 % NaCl). Gas chromatography-mass spectrometry (GC–MS) identified cis-vaccenic acid as the primary active phytochemical in SmPE, which acts as a biosurfactant molecule. The corrosion inhibitive performance of SmPE on CS was evaluated with varying concentrations ranging from 50400 ppm by gravimetric analysis and electrochemical techniques such as Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization (PDP). The results revealed that inhibition efficiency (IE %) increased with SmPE concentration, reaching a maximum of 96.9 % at the critical micelle concentration (CMC) of 250 ppm, accompanied by a minimal corrosion rate (CR) of 0.0062 mm/y. The CMC was confirmed by a distinct change in electrochemical parameters at this concentration. PDP analysis indicated that SmPE functions as a mixed-type inhibitor. Surface characterization via Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy (SEM-EDX), Fourier Transform Infrared Spectroscopy (FT-IR), Atomic Force Microscopy (AFM), and X-ray Photoelectron Spectroscopy (XPS) confirmed the adsorption of SmPE molecules on the CS surface. Ultraviolet-visible (UV–vis) spectroscopy demonstrated complex formation between Fe²⁺ ions and the inhibitor. Density Functional Theory (DFT) calculations provided a theoretical understanding of the inhibitor's interaction with the CS surface. Additionally, SmPE exhibited notable biocidal activity against MIC, with a biocidal efficiency (BE %) of 94.40 ± 0.90 % at 250 ppm, as determined by Colony Forming Units (CFU) assay.
期刊介绍:
The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including:
• Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.)
• Chemical intermediates
• Molecules in excited states
• Biological molecules
• Polymers.
The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example:
• Infrared spectroscopy (mid, far, near)
• Raman spectroscopy and non-linear Raman methods (CARS, etc.)
• Electronic absorption spectroscopy
• Optical rotatory dispersion and circular dichroism
• Fluorescence and phosphorescence techniques
• Electron spectroscopies (PES, XPS), EXAFS, etc.
• Microwave spectroscopy
• Electron diffraction
• NMR and ESR spectroscopies
• Mössbauer spectroscopy
• X-ray crystallography
• Charge Density Analyses
• Computational Studies (supplementing experimental methods)
We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.