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<p>Zinc oxide/ethylene-chlorotrifluoroethylene (ZnO/ECTFE) nanocomposite coatings were fabricated on carbon steel substrates through electrostatic spraying coupled with thermal curing. Systematic investigation of ZnO content effects (0–1.00 %) on corrosion protection performance was conducted via morphological characterization, electrochemical impedance spectroscopy in 3.5 wt% NaCl solution, and molecular dynamics (MD) simulations with refined ion transport models. Experimental results revealed nonmonotonic relationships between ZnO loading and coating properties: While the 0.50 % ZnO/ECTFE system exhibited suboptimal surface roughness (R<sub>a</sub> = 25.2 nm, second-highest among tested contents), it demonstrated superior electrochemical performance with maximum charge transfer resistance (R<sub>ct,120d</sub> = 1.76 × 10<sup>4</sup>&#xa0;Ω&#xa0;·&#xa0;cm<sup>2</sup>). Immersion tests quantified durability improvements of 67.85 % and 85.11 % for 0.25 % and 0.50 % composites, respectively, compared to 0 % ZnO composite system (pristine ECTFE). MD simulations revealed that the 0.50 % ZnO composite system achieved the lowest diffusion coefficients for water molecules (H<sub>2</sub>O, 6.2952 × 10<sup>−9</sup>&#xa0;m<sup>2</sup>/s) and chloride ions (Cl<sup>−</sup>, 5.2881 × 10<sup>−9&#xa0;</sup>m<sup>2</sup>/s). These findings establish that ZnO incorporation reinforces ECTFE coatings through synergistic physical barrier enhancement and electrochemical modification mechanisms, providing critical theoretical foundations for understanding Cl<sup>−</sup> transport dynamics in protective polymer nanocomposites.</p>

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Modulating fluoropolymer coating corrosion resistance through zinc oxide nanofiller content gradients: experimental validation and molecular dynamics mechanistic analysis

  • 期刊论文

  • 发表日期：

    2026年2月12日

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  • Libing Hao,
  • Qinle Li,
  • Xuetao Zhang,
  • Hui Li,
  • Junhua Xiao,
  • Zhifan Huang,
  • Jun Wen,
  • Minjia Wang

摘要

Zinc oxide/ethylene-chlorotrifluoroethylene (ZnO/ECTFE) nanocomposite coatings were fabricated on carbon steel substrates through electrostatic spraying coupled with thermal curing. Systematic investigation of ZnO content effects (0–1.00 %) on corrosion protection performance was conducted via morphological characterization, electrochemical impedance spectroscopy in 3.5 wt% NaCl solution, and molecular dynamics (MD) simulations with refined ion transport models. Experimental results revealed nonmonotonic relationships between ZnO loading and coating properties: While the 0.50 % ZnO/ECTFE system exhibited suboptimal surface roughness (Ra = 25.2 nm, second-highest among tested contents), it demonstrated superior electrochemical performance with maximum charge transfer resistance (Rct,120d = 1.76 × 104 Ω · cm2). Immersion tests quantified durability improvements of 67.85 % and 85.11 % for 0.25 % and 0.50 % composites, respectively, compared to 0 % ZnO composite system (pristine ECTFE). MD simulations revealed that the 0.50 % ZnO composite system achieved the lowest diffusion coefficients for water molecules (H2O, 6.2952 × 10−9 m2/s) and chloride ions (Cl−, 5.2881 × 10−9 m2/s). These findings establish that ZnO incorporation reinforces ECTFE coatings through synergistic physical barrier enhancement and electrochemical modification mechanisms, providing critical theoretical foundations for understanding Cl− transport dynamics in protective polymer nanocomposites.