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纳米润滑膜全氟聚醚(perfluoropolyether,简称PFPE)在固体表面的结构和迁移特性对于计算机磁盘磁头驱动系统的可靠性具有重要的作用.采用基于粗粒珠簧模型的分子动力学模拟方法,考察了不同壁面和端基极性对于PFPE膜静态特性(如分子构型、单体密度分布、端基密度分布)以及动态特性(如自扩散系数)的影响.静态特性的模拟结果表明,非极性PFPE膜在壁面附近具有单层厚度为一个单体直径的层状结构,而极性PFPE膜则具有复杂的层状结构.动态特性的模拟结果表明,PFPE膜的扩散能力因壁面作用而增强并因端基极性作用而减弱.
The structure and migration of perfluoropolyether (PFPE) on the solid surface of nanofiltration membrane plays an important role in the reliability of the magnetic head drive system of the computer disk. By using the molecular dynamics simulation method based on the coarse-grained bead spring model, The influence of different wall and terminal polarities on the static properties (such as molecular configuration, monomer density distribution, end group density distribution) and dynamic properties (such as self-diffusion coefficient) of PFPE films were simulated.The simulation results of static characteristics show that the non- The PFPE film has a monolayer thickness of a single layer in the vicinity of the wall, whereas the polar PFPE film has a complex lamellar structure.The simulation of the dynamic properties shows that the diffusion ability of the PFPE film is enhanced by the effect of the wall And due to the polar role of the terminal weakened.