Molecular dynamics simulation on interacting and mechanical properties of polylactic acid and attapulgite(100) surface

被引:21
|
作者
Zhou, Su-Qin [1 ]
Cheng, Xiao-Chun [1 ]
Jin, Ye-Ling [1 ]
Wu, Jie [1 ]
Zhao, Deng-Shan [1 ]
机构
[1] Huaiyin Inst Technol, Fac Life Sci & Chem Engn, Key Lab Attapulgite Sci & Appl Technol Jiangsu Pr, Huaian 223003, Peoples R China
关键词
theory and modeling; surfaces and interfaces; mechanical properties; POLYLACTIDE/LAYERED SILICATE NANOCOMPOSITES; COMPOSITES; BENZENE;
D O I
10.1002/app.38492
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 method of molecular dynamics (MD) simulations was used to investigate the interaction between the PLA and the attapulgite, and the influence of the temperature on the mechanical properties of the PLA and the PLA-attapulgite. After the PLA blends the attapulgite, the structures and properties of the PLA and the attapulgite change due to their strong interaction. However, this interaction weakens gradually with temperature increasing. The isotropy of the composite of PLA-attapulgite is strengthened in comparison with the PLA. In addition, the temperature can change the mechanical properties of the PLA-attapulgite, but the mechanical properties of the PLA are hardly influences on the temperature. The PLA-attapulgite is more rigid and tough than the PLA at the room temperature but the toughness of the composite of PLA-attapulgite becomes worse than that of the PLA at 350 K. (c) 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
引用
收藏
页码:3043 / 3049
页数:7
相关论文
共 50 条
  • [1] Molecular dynamics simulation on interacting and mechanical properties of polylactic acid and attapulgite(100) surface
    Key Laboratory for Attapulgite Science and Applied Technology of Jiangsu Province, Faculty of Life Science and Chemical Engineering, Huaiyin Institute of Technology, Huaian 223003, China
    Cheng, X.-C. (chengxc126@126.com), 1600, John Wiley and Sons Inc (128):
  • [2] Molecular dynamics simulation and experimental investigation of mechanical properties of calcium carbonate and graphene reinforced polylactic acid nanocomposites
    Zehir, Burcak
    Boga, Cem
    Seyedzavvar, Mirsadegh
    JOURNAL OF MOLECULAR MODELING, 2023, 29 (06)
  • [3] Molecular dynamics simulation and experimental investigation of mechanical properties of calcium carbonate and graphene reinforced polylactic acid nanocomposites
    Burçak Zehir
    Cem Boga
    Mirsadegh Seyedzavvar
    Journal of Molecular Modeling, 2023, 29
  • [4] Research on the miscibility, mechanical properties and printability of polylactic acid/poly (ε-caprolactone) blends: insights from molecular dynamics simulation and experiments
    Wei, Qinghua
    Sun, Daocen
    Zhang, Kun
    Wang, Yanmei
    Guo, Ying
    Wang, Yanen
    JOURNAL OF MATERIALS SCIENCE, 2021, 56 (16) : 9754 - 9768
  • [5] Research on the miscibility, mechanical properties and printability of polylactic acid/poly (ε-caprolactone) blends: insights from molecular dynamics simulation and experiments
    Qinghua Wei
    Daocen Sun
    Kun Zhang
    Yanmei Wang
    Ying Guo
    Yanen Wang
    Journal of Materials Science, 2021, 56 : 9754 - 9768
  • [6] The mechanical properties of the scratched surface for silica glass by molecular dynamics simulation
    Guo, Xiaoguang
    Zhai, Changheng
    Kang, Renke
    Jin, Zhuji
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 2015, 420 : 1 - 6
  • [7] Molecular dynamics simulation of mechanical properties and surface interaction for nitrate plasticizer
    Xia Lu
    Xiao Ji-Jun
    Fan Jian-Fen
    Zhu Wei
    Xiao He-Ming
    ACTA CHIMICA SINICA, 2008, 66 (08) : 874 - 878
  • [8] Molecular dynamics simulation of mechanical properties and surface interaction for HA/NBCA
    Wang, Yanen
    Wei, Qinghua
    Yang, Mingming
    Wei, Shengmin
    Cailiao Yanjiu Xuebao/Chinese Journal of Materials Research, 2014, 28 (02): : 133 - 138
  • [9] Comprehensive investigations of interaction properties of polylactic Acid-Attapulgite composite by reactive molecular dynamics simulations and dispersion corrected DFT calculations
    Li, Liangzhao
    CURRENT APPLIED PHYSICS, 2021, 28 : 78 - 86
  • [10] Investigation on sintering behavior of polylactic acid nanoparticles: A molecular dynamics simulation
    Liu, Qingkang
    Wang, Ziyue
    Zhu, Xiaohong
    Chen, Zhen
    Huang, Kaihao
    Wu, Wenkai
    Du, Haikun
    COMPUTATIONAL MATERIALS SCIENCE, 2025, 251