TY - JOUR
T1 - Orientational Cross-Correlation in Entangled Binary Blends in Primitive Chain Network Simulations
AU - Masubuchi, Yuichi
AU - Amamoto, Yoshifumi
N1 - Funding Information:
The authors greatly thank Prof. J.-I. Takimoto for his help for the simulation of DT model. This work is supported in part by Grant-in-Aid for Scientific Research (B) (26288059) from JSPS and by Council for Science, Technology and Innovation, Crossministerial Strategic Innovation Promotion Program, Structural Materials for Innovation from JST.
Publisher Copyright:
© 2016 American Chemical Society.
PY - 2016/12/13
Y1 - 2016/12/13
N2 - It has been reported from the molecular dynamics simulation that the orientational cross-correlation (OCC) has a significant contribution to the relaxation modulus of polymers. Remarkably, the OCC contribution has been found to be universal with respect to the molecular weight and even to its distribution for unentangled polymers [ Cao; Likhtman Phys. Rev. Lett. 2010, 104, 207801 ]. In this study, the OCC in entangled bidisperse polymer melts was evaluated by multichain slip-link simulations. The obtained OCC was similar to that in monodisperse systems in its intensity. On the other hand, the time development reflected the motion of short and long chains, and consequently the universality was not observed when the molecular weights of two components are well-separated and the long chain fraction is small. Comparison to the results obtained by the other slip-link model suggests that the cross-correlation is induced by the force balance and the fluctuation at the entanglement.
AB - It has been reported from the molecular dynamics simulation that the orientational cross-correlation (OCC) has a significant contribution to the relaxation modulus of polymers. Remarkably, the OCC contribution has been found to be universal with respect to the molecular weight and even to its distribution for unentangled polymers [ Cao; Likhtman Phys. Rev. Lett. 2010, 104, 207801 ]. In this study, the OCC in entangled bidisperse polymer melts was evaluated by multichain slip-link simulations. The obtained OCC was similar to that in monodisperse systems in its intensity. On the other hand, the time development reflected the motion of short and long chains, and consequently the universality was not observed when the molecular weights of two components are well-separated and the long chain fraction is small. Comparison to the results obtained by the other slip-link model suggests that the cross-correlation is induced by the force balance and the fluctuation at the entanglement.
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U2 - 10.1021/acs.macromol.6b01642
DO - 10.1021/acs.macromol.6b01642
M3 - Article
AN - SCOPUS:85006320592
SN - 0024-9297
VL - 49
SP - 9258
EP - 9265
JO - Macromolecules
JF - Macromolecules
IS - 23
ER -