Connectivity effects in the segmental self- and cross-reorientation of unentangled polymer melts
作者： A. Ottochian , D. Molin , A. Barbieri , D. Leporini
DOI: 10.1063/1.3262307
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摘要: The segmental (bond) rotational dynamics in a polymer melt of unentangled, linear bead-spring chains is studied by molecular simulations. To single out the connectivity effects, states with limited deviations from Gaussian behavior displacement are considered. Both self and cross bond-bond correlations rank l=1,2 detail. For l=1 correlation functions precisely described expressions involving chain modes. Several approximations concerning both self- cross-correlations developed assessed. It found that simplified description excluded volume static effects derived elsewhere [D. Molin et al., J. Phys.: Condens. Matter 18, 7543 (2006)] well accounts for short time cross-correlations. also allows proper modification Rouse theory which provides quantitative account intermediate long decay l=1.
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