TY - JOUR
T1 - Rheological Properties of Lamellae-Forming Diblock Copolymers
AU - Tomiyoshi, Yoshinori
AU - Kawakatsu, Toshihiro
AU - Aoyagi, Takeshi
AU - Morita, Hiroshi
N1 - Funding Information:
This work was supported by the Grant‐in‐Aid for Scientific Research (Grant Number 19H01858) from The Ministry of Education, Culture, Sports, Science, and Technology (MEXT), Japan. It is also supported by Professional Development Consortium for Computational Materials Scientists (PCoMS) at Tohoku University.
Publisher Copyright:
© 2021 Wiley-VCH GmbH
PY - 2021/7
Y1 - 2021/7
N2 - The present study investigates rheological properties of microphase-separated lamellar structures formed by unentangled and weakly entangled diblock copolymer melts under a finite amplitude oscillatory shear flow and a steady shear flow. To simulate such a system, dissipative particle dynamics (DPD) simulation is employed to reproduce the lamellar structures, where a multi-chain slip-spring model is combined with DPD simulation to mimic entanglement effects. By imposing an oscillatory shear flow, this model enables us to measure storage and loss moduli for three different (parallel, perpendicular, and transverse) lamellar orientations with respect to the flow direction. These orientations display distinctive rheological behaviors, and especially the transverse orientation exhibits a peculiar behavior owing to a finite expansion of the lamellar interfaces, which differs from a previous study. In a steady shear flow, steady shear viscosities of parallel and perpendicular orientations are evaluated. In this case, the orientations of lamellar domains and the local orientation and stretching of bonds near the lamellar interfaces affect the steady shear viscosities. A spatial distribution of entanglements also affects the steady shear viscosities differently from another previous study.
AB - The present study investigates rheological properties of microphase-separated lamellar structures formed by unentangled and weakly entangled diblock copolymer melts under a finite amplitude oscillatory shear flow and a steady shear flow. To simulate such a system, dissipative particle dynamics (DPD) simulation is employed to reproduce the lamellar structures, where a multi-chain slip-spring model is combined with DPD simulation to mimic entanglement effects. By imposing an oscillatory shear flow, this model enables us to measure storage and loss moduli for three different (parallel, perpendicular, and transverse) lamellar orientations with respect to the flow direction. These orientations display distinctive rheological behaviors, and especially the transverse orientation exhibits a peculiar behavior owing to a finite expansion of the lamellar interfaces, which differs from a previous study. In a steady shear flow, steady shear viscosities of parallel and perpendicular orientations are evaluated. In this case, the orientations of lamellar domains and the local orientation and stretching of bonds near the lamellar interfaces affect the steady shear viscosities. A spatial distribution of entanglements also affects the steady shear viscosities differently from another previous study.
KW - dissipative particle dynamics
KW - microphase-separated structures
KW - rheology
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U2 - 10.1002/adts.202100097
DO - 10.1002/adts.202100097
M3 - Article
AN - SCOPUS:85107183483
SN - 2513-0390
VL - 4
JO - Advanced Theory and Simulations
JF - Advanced Theory and Simulations
IS - 7
M1 - 2100097
ER -