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
来源：
MACROMOLECULES | 2006年 / 39卷 / 18期
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
  • [31] Coarse-Grained Molecular Dynamics Simulation of a Red Blood Cell
    Jiang Li-Guo
    Wu Heng-An
    Zhou Xiao-Zhou
    Wang Xiu-Xi
    [J]. CHINESE PHYSICS LETTERS, 2010, 27 (02)
  • [32] Coarse-grained molecular dynamics simulation of nanofilled crosslinked rubber
    Yagyu, Hiromasa
    Utsumi, Takayuki
    [J]. COMPUTATIONAL MATERIALS SCIENCE, 2009, 46 (02) : 286 - 292
  • [33] Coarse-grained molecular dynamics simulation of the aggregation properties of phospholipid
    Zhao, Yan
    Ng, Hou T.
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 241
  • [34] Coarse-grained molecular dynamics simulation of small ferrogel objects
    Ryzhkov, A. V.
    Melenev, P. V.
    Holm, C.
    Raikher, Yu. L.
    [J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2015, 383 : 277 - 280
  • [35] Coarse-grained molecular dynamics study based on TorchMD
    Xu, Peijun
    Mou, Xiaohong
    Guo, Qiuhan
    Fu, Ting
    Ren, Hong
    Wang, Guiyan
    Li, Yan
    Li, Guohui
    [J]. CHINESE JOURNAL OF CHEMICAL PHYSICS, 2021, 34 (06) : 957 - 969
  • [36] A coarse-grained model for polylactide: glass transition temperature and conformational properties
    Khongvit Prasitnok
    [J]. Journal of Polymer Research, 2016, 23
  • [37] A coarse-grained model for polylactide: glass transition temperature and conformational properties
    Prasitnok, Khongvit
    [J]. JOURNAL OF POLYMER RESEARCH, 2016, 23 (07)
  • [38] Reactive Coarse-Grained Molecular Dynamics
    Dannenhoffer-Lafage, Thomas
    Voth, Gregory A.
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2020, 16 (04) : 2541 - 2549
  • [39] Multiconfigurational Coarse-Grained Molecular Dynamics
    Sharp, Morris E.
    Vazquez, Francisco X.
    Wagner, Jacob W.
    Dannenhoffer-Lafage, Thomas
    Voth, Gregory A.
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 15 (05) : 3306 - 3315
  • [40] Controlling the dispersion and orientation of nanorods in polymer melt under shear: Coarse-grained molecular dynamics simulation study
    Park, Jay Hoon
    Kalra, Vibha
    Joo, Yong Lak
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2014, 140 (12):
12345