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April 1, 2026AIChE Journal2 citations

Castor oil‐based polyurethane coatings reinforced with biomass‐derived activated carbon: Experimental and DFT insights

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MMMangal MangalRGRamesh N. GoswamiRHRaghibul Hussain

Key Points

  • The main aim is to develop a sustainable polyurethane coating using castor oil and biomass-derived materials while assessing its performance and properties.
  • Synthesis of bio-based polyurethane using castor oil as polyol.
  • Incorporation of Bhimal fiber-derived activated carbon at varying loadings (1, 2, 5 wt.%).
  • Structural and thermal characterization using FTIR, XRD, TGA, and DSC.
  • Density functional theory calculations to evaluate urethane bond formation.
  • Electrochemical tests for corrosion resistance evaluation.
  • Successful urethane formation and improved thermal stability with BFAC incorporation.
  • Activation barrier for urethane bond formation calculated at 36.1 kcal/mol.
  • 5 wt.% BFAC-CPU coating showed the highest charge transfer resistance and lowest corrosion current density in saline solution.

Abstract

Abstract The environmental concerns associated with petroleum‐derived polyurethanes necessitate the development of sustainable coating materials. In this study, a bio‐based polyurethane (CPU) coating was synthesized using castor oil as the polyol reinforced with Bhimal fiber‐derived activated carbon (BFAC) at 1, 2, and 5 wt.% loadings. Structural and thermal characterization (FTIR, XRD, TGA, and DSC) confirmed successful urethane formation, enhanced structural order, and improved thermal stability upon BFAC incorporation. Density functional theory calculations, including geometry optimization, intrinsic reaction coordinate analysis, and Gibbs free energy profiling, demonstrated the thermodynamic feasibility of urethane bond formation with an activation barrier of 36.1 kcal/mol, supported by simulated FTIR and HOMO–LUMO analysis. Electrochemical impedance spectroscopy and Tafel polarization revealed markedly improved corrosion resistance, with the 5 wt.% BFAC‐CPU coating exhibiting the highest charge transfer resistance and lowest corrosion current density in 3.5 wt.% NaCl. These results highlight BFAC‐reinforced CPU as an effective, environmentally benign corrosion‐protective coating.

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Cite This Study

Mangal et al. (2026) studied this question.

synapsesocial.com/papers/69cd7b475652765b073a9307https://doi.org/10.1002/aic.70366
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