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<p>To enhance the electrical and mechanical properties of meta-aramid paper (PMIA, poly(m-phenylene isophthalamide)), this study systematically investigated the performance regulation mechanisms of nano-TiO<sub>2</sub> doping and 3-aminopropyltriethoxysilane (KH550) silane coupling agent surface modification on meta-aramid fiber composites through molecular dynamics simulations combined with experimental validation. Simulation results demonstrated that the KH550-modified TiO<sub>2</sub>/PMIA system exhibited a significant increase in glass transition temperature (591&#xa0;K) compared to pure PMIA (580&#xa0;K), with a 43.87% reduction in mean square displacement. Experimental validation demonstrated that 6&#xa0;wt% KH550-modified TiO<sub>2</sub>-doped PMIA achieved a breakdown voltage of 38.7&#xa0;kV/mm (88.8% higher than unmodified samples), along with a simultaneously improved tensile index of 34.06 N·m/g. Meanwhile, the volume conductivity reached its minimum value of 1.27 × 10<sup>–16</sup> S/m at 4&#xa0;wt%. XPS and SEM analyses confirmed that interfacial chemical coupling via Si–O–Ti bonds and amino groups effectively inhibited TiO<sub>2</sub> agglomeration and optimized filler dispersion.</p>

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Molecular simulation and experimental research of the performance enhancement mechanism in nano-TiO2/KH550 modified meta-aramid insulating paper

  • 期刊论文

  • 发表日期：

    2025年9月22日

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  • Bowen Liu,
  • Xu Zhao,
  • Hanwen Bi,
  • Ruiyang Wang,
  • Fangcheng Lv

摘要

To enhance the electrical and mechanical properties of meta-aramid paper (PMIA, poly(m-phenylene isophthalamide)), this study systematically investigated the performance regulation mechanisms of nano-TiO2 doping and 3-aminopropyltriethoxysilane (KH550) silane coupling agent surface modification on meta-aramid fiber composites through molecular dynamics simulations combined with experimental validation. Simulation results demonstrated that the KH550-modified TiO2/PMIA system exhibited a significant increase in glass transition temperature (591 K) compared to pure PMIA (580 K), with a 43.87% reduction in mean square displacement. Experimental validation demonstrated that 6 wt% KH550-modified TiO2-doped PMIA achieved a breakdown voltage of 38.7 kV/mm (88.8% higher than unmodified samples), along with a simultaneously improved tensile index of 34.06 N·m/g. Meanwhile, the volume conductivity reached its minimum value of 1.27 × 10–16 S/m at 4 wt%. XPS and SEM analyses confirmed that interfacial chemical coupling via Si–O–Ti bonds and amino groups effectively inhibited TiO2 agglomeration and optimized filler dispersion.