Study of the glass transition temperature of polymer surface by coarse-grained molecular dynamics simulation

被引:119
|
作者
Morita, Hiroshi
Tanaka, Keiji
Kajiyama, Tisato
Nishi, Toshio
Doi, Masao
机构
[1] Univ Tokyo, Japan Sci & Technol Agcy, Bunkyo Ku, Tokyo 1138656, Japan
[2] Univ Tokyo, Dept Appl Phys, Bunkyo Ku, Tokyo 1138656, Japan
[3] Kyushu Univ, Dept Appl Chem, Nishi Ku, Fukuoka 8190395, Japan
[4] Kyushu Univ, Higashi Ku, Fukuoka 8128581, Japan
[5] Tokyo Inst Technol, Dept Organ & Polymer Mat, Meguro Ku, Tokyo 1528552, Japan
关键词
D O I
10.1021/ma052632h
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
The glass transition temperature at the surface of polymer film is studied by the coarse-grained molecular dynamics simulation. By the analysis of the segmental motion, the glass transition temperatures at the surface region and that in the bulk region are determined separately. The glass transition at the surface region is found to be lower than that in the bulk region. The molecular weight dependence of the glass transition temperature obtained by the simulation agrees well with that obtained by the scanning force microscopic measurements.
引用
收藏
页码:6233 / 6237
页数:5
相关论文
共 50 条
  • [41] Elongational Viscosity of Weakly Entangled Polymer Melt via Coarse-Grained Molecular Dynamics Simulation
    Murashima, Takahiro
    Hagita, Katsumi
    Kawakatsu, Toshihiro
    [J]. NIHON REOROJI GAKKAISHI, 2018, 46 (05) : 207 - 220
  • [42] Coarse-Grained Molecular Dynamics Simulation of Perfluorosulfonic Acid Polymer in Water-Ethanol Mixtures
    Kuo, An-Tsung
    Urata, Shingo
    Nakabayashi, Kazuhiro
    Watabe, Hiroyuki
    Honmura, Satoru
    [J]. MACROMOLECULES, 2021, 54 (02) : 609 - 620
  • [43] Effect of shear on nanoparticle dispersion in polymer melts: A coarse-grained molecular dynamics study
    Kalra, Vibha
    Escobedo, Fernando
    Joo, Yong Lak
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (02):
  • [44] Classical, Coarse-Grained, and Reactive Molecular Dynamics Simulations on Polymer Nanocomposites
    Inseok Jeon
    Taeyoung Yun
    Seunghwa Yang
    [J]. Multiscale Science and Engineering, 2022, 4 (4) : 161 - 178
  • [45] Coarse-grained molecular dynamics simulations of the tensile behavior of a thermosetting polymer
    Yang, Shaorui
    Qu, Jianmin
    [J]. PHYSICAL REVIEW E, 2014, 90 (01):
  • [46] Coarse-Grained Models Reveal Functional Dynamics - II. Molecular Dynamics Simulation at the Coarse-Grained Level - Theories and Biological Applications
    Chng, Choon-Peng
    Yang, Lee-Wei
    [J]. BIOINFORMATICS AND BIOLOGY INSIGHTS, 2008, 2 : 171 - 185
  • [47] Molecular dynamics simulation using coarse-grained model to study protein function and beyond
    Takano, M
    Higo, J
    Nakamura, HK
    Sasai, M
    [J]. CEC: 2003 CONGRESS ON EVOLUTIONARY COMPUTATION, VOLS 1-4, PROCEEDINGS, 2003, : 2719 - 2726
  • [48] Microstructure of ionic liquids mixed with water on the charged graphene surface: A coarse-grained molecular dynamics simulation study
    Song, Fenhong
    Wang, Fukang
    Ma, Jiaming
    Xue, Jiayu
    Fan, Jing
    [J]. JOURNAL OF MOLECULAR LIQUIDS, 2023, 391
  • [49] Dendrite Suppression by a Polymer Coating: A Coarse-Grained Molecular Study
    Kong, Xian
    Rudnicki, Paul E.
    Choudhury, Snehashis
    Bao, Zhenan
    Qin, Jian
    [J]. ADVANCED FUNCTIONAL MATERIALS, 2020, 30 (15)
  • [50] The nanoscale tensile behavior of polyaspartate polyurea: A coarse-grained molecular dynamics simulation study
    Du, Mingrui
    Li, Pengbo
    Yao, Xupei
    Pan, Yanhui
    Zhao, Peng
    Fang, Hongyuan
    Wang, Lei
    [J]. Materials Today Communications, 2024, 41