發(fā)布時間：2021-08-14 15:04

　　受限條件下高分子鏈的靜態(tài)與動態(tài)性質(zhì)隨受限程度和受限條件的不同而表現(xiàn)出一系列獨特的規(guī)律性,是軟凝聚態(tài)物理學(xué)、高分子物理、生物物理的一個重要研究方向。其中,高分子和納米粒子的混合物在許多領(lǐng)域具有重要的科學(xué)和技術(shù)意義,例如膠體或納米粒子的懸浮高分子、細胞內(nèi)的蛋白質(zhì)和生物高分子、納米顆粒填充高分子形成的高分子納米復(fù)合材料等。由于納米顆粒與高分子的相互作用,高分子的玻璃化轉(zhuǎn)變溫度、結(jié)晶行為、力學(xué)性質(zhì)等的物理性質(zhì)與本體存在很大的差別。高分子納米復(fù)合材料將無機材料的剛性、尺寸穩(wěn)定性和熱穩(wěn)定性與高分子材料的彈性、可加工性完美地結(jié)合起來,已成為獲得高性能復(fù)合材料的重要方法之一。另外,高分子鏈通過納米孔的移位現(xiàn)象廣泛存在于各種生命過程,對移位現(xiàn)象的研究在DNA測序、分子分離、結(jié)構(gòu)研究等方面有潛在的應(yīng)用價值。本論文采用分子動力學(xué)模擬方法研究了低濃度可運動的納米粒子環(huán)境中的高分子鏈和隨機分布的不可移動的納米粒子環(huán)境中的半剛性高分子鏈的靜態(tài)與動態(tài)性質(zhì),以及影響高分子通過排斥性納米孔的移位時間的因素。模擬采用粗�；榛筛叻肿幽Ｐ�,并考慮了高分子與納米顆粒、高分子與納米孔之間的Lennard-Jones相互作用。論... 

【文章來源】：浙江大學(xué)浙江省 211工程院校 985工程院校 教育部直屬院校

【文章頁數(shù)】：115 頁

【學(xué)位級別】：博士

【文章目錄】：
Abstract
摘要
1 Introduction
    1.1 Polymer in confined environment
    1.2 Brownian motion and anoumalous diffusivity of polymer
    1.3 Polymer nanocomposite
    1.4 Size of polymer in polymer nanocomposites
    1.5 Diffusion of polymer in polymer nanocomposite
    1.6 Polymer translocation through nanopore
    1.7 Computer simulation in polymer physics
    1.8 Targets of the thesis
2 Polymer models and simulation methods
    2.1 Polymer and polymer properties
    2.2 Polymer conformations
    2.3 Dynamics of polymer chain
    2.4 Newton equation
    2.5 Langevin dynamics
    2.6 Intermolecular and intramolecular potentials
    2.7 LAMMPS
    2.8 Equilibration and periodic boundary conditions
3 Polymer in solution with low concentration of nanoparticles
    3.1 Model and simulation method
    3.2 Polymer in dilute solution
    3.3 Effect of nanoparticles on the properties of polymer
        3.3.1 Polymer size
        3.3.2 Polymer diffusion
        3.3.3 Explanation
        3.3.4 Effect of nanoparticle mobility
    3.4 Summary
4 Semiflexible polymer in crowded environment with immobile nanoparticles
    4.1 Model and simulation method
    4.2 Results and discussions
        4.2.1 Chain conformations in the presence of nanoparticles
        4.2.2 Diffusion of the polymer chain in random medium
        4.2.3 Rotational relaxation time for polymer chain
    4.3 Summary
5 Translocation of polymer through nanopores
    5.1 Simulation model and simulation method
    5.2 Results and discussion
        5.2.1 Temperature dependence of the translocation time
        5.2.2 Temperature dependence of the translocation probability
        5.2.3 Scaling behaviors of the translocation time on driving force
        5.2.4 Scaling behaviors of the translocation time on polymer length
    5.3 Summary
6 Summary and outlook
7 References
8 List of papers
9 Acknowledgements



本文編號：3342685