Dynamics of polypropylene chains in their binary blends of different stereochemical sequences studied by Monte Carlo simulations
作者: Tanissara PinijmontreeVisit Vao-soongnern
作者单位: 1Laboratory of Computational and Applied Polymer Science (LCAPS), School of Chemistry, Institute of Science, Suranaree University of Technology
刊名: Chinese Journal of Polymer Science, 2014, Vol.32 (5), pp.640-649
来源数据库: Springer Journal
DOI: 10.1007/s10118-014-1422-0
关键词: Binary blends of PP with different stereochemical sequencesDynamicsTacticity effectMonte Carlo Simulation
英文摘要: Abstract(#br)The conformational and dynamic properties of polypropylene (PP) for both pure melts and blends with different chain tacticity were investigated by Monte Carlo simulation of isotactic ( i PP), atactic ( a PP) and syndiotactic ( s PP) polypropylenes. The simulation of coarse-grained PP models was performed on a high coordination lattice incorporating short- and long-range intramolecular interactions from the rotational isomeric state (RIS) model and Lennard-Jones (LJ) potential function of propane pairs, respectively. The dynamics of chains in binary PP/PP mixture were investigated with the composition of C 150 H 302 with different chain taciticity. The diffusion rates of PP with different stereochemistry are generally in the order as: i PP > a PP ≫ s PP. For PP/PP blends with...
全文获取路径: Springer  (合作)
影响因子:1.27 (2012)

  • stereochemical 立体化学的
  • chains 镣铐
  • polypropylene 聚丙烯
  • studied 学习
  • their 他们的
  • different 不相同的
  • binary 二元的