Molecular dynamics simulation of a glassy polymer surface

作者： Kevin F. Mansfield , Doros N. Theodorou

关键词: Thermodynamics 、 Spatial dependence 、 Free surface 、 Molecular dynamics 、 Polymer 、 Density distribution 、 Surface (mathematics) 、 Conformational isomerization 、 Physical chemistry 、 Polypropylene 、 Chemistry

摘要: The free surface of glassy atactic polypropylene is studied by molecular dynamics computer simulation. A model film system exposed to vacuum on both sides is examinedat a …