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Investigation of dielectric constants of water in a nano-confined pore

机译:纳米密闭孔中水介质常数调查

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We report the dielectric properties of pure water confined in a silica hydrophilic nanopore determined from the computation of the density of liquid in the confined phase by the grand canonical Monte Carlo (GCMC) simulations. The silica cylindrical nanopore is divided into n concentric radial shells to get a better insight into the dielectric properties of nanoconfined water. We find that the average values of the dielectric constants are very close and almost independent of the number of concentric radial shells. The decrease in the dielectric constant of confined pure water is due to the strong orientation of water dipoles in the vicinity of the surface while water dipoles do not exhibit any preferential orientation in bulk phase.
机译:我们报告了在大型广泛规范蒙特卡罗(GCMC)模拟中由狭窄相位的液体密度计算确定的二氧化硅亲水纳米孔中纯净的纯水的介电性质。 二氧化硅圆柱形纳米孔分为N同心径向壳,以更好地了解纳米污水水的介电性能。 我们发现介电常数的平均值非常紧密,几乎与同心径向壳的数量无关。 受限纯水的介电常数的降低是由于表面附近的水偶极子的强烈取向,而水偶极子在体相中没有表现出任何优先取向。

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  • 来源
    《RSC Advances》 |2020年第15期|共8页
  • 作者单位

    Tongji Univ State Key Lab Pollut Control &

    Resources Reuse Coll Environm Sci &

    Engn 1239 Siping Rd Shanghai 200092 Peoples R China;

    Tongji Univ State Key Lab Pollut Control &

    Resources Reuse Coll Environm Sci &

    Engn 1239 Siping Rd Shanghai 200092 Peoples R China;

    Tongji Univ State Key Lab Pollut Control &

    Resources Reuse Coll Environm Sci &

    Engn 1239 Siping Rd Shanghai 200092 Peoples R China;

    Tongji Univ State Key Lab Pollut Control &

    Resources Reuse Coll Environm Sci &

    Engn 1239 Siping Rd Shanghai 200092 Peoples R China;

    Tongji Univ State Key Lab Pollut Control &

    Resources Reuse Coll Environm Sci &

    Engn 1239 Siping Rd Shanghai 200092 Peoples R China;

    Tongji Univ State Key Lab Pollut Control &

    Resources Reuse Coll Environm Sci &

    Engn 1239 Siping Rd Shanghai 200092 Peoples R China;

    Tongji Univ State Key Lab Pollut Control &

    Resources Reuse Coll Environm Sci &

    Engn 1239 Siping Rd Shanghai 200092 Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学;
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