Micelle morphology and chain conformation of triblock copolymers under shear: LA-DPD study

被引:16
|
作者
Prhashanna, Ammu [1 ]
Khan, Saif A. [1 ]
Chen, Shing Bor [1 ]
机构
[1] Natl Univ Singapore, Dept Chem & Biomol Engn, Singapore 117585, Singapore
关键词
DPD simulations; Lowe-Anderson thermostat; Triblock copolymers; Self-assembly; PARTICLE DYNAMICS SIMULATION; BLOCK-COPOLYMER; PHASE-BEHAVIOR; MESOSCOPIC SIMULATION; MULTIPLE MORPHOLOGIES; DIBLOCK COPOLYMERS; NEUTRON-SCATTERING; AQUEOUS-SOLUTION; THIN-FILMS; ALIGNMENT;
D O I
10.1016/j.colsurfa.2016.07.003
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present an investigation on the morphologies of Pluronic (P123 and P84) micelles subject to a simple shear flow via dissipative particle dynamics simulations in conjunction with the Lowe-Anderson thermostat. The most interesting finding is that the polymer chains take a wide variety of conformations, showing a nearly uniform distribution, rather than either a loop or a bridge as speculated previously. The micellar solutions show shear thinning behavior, and the chains are stretched more easily when the concentration is increased at a given shear rate. For the polymer volume fraction phi <= 0.2, weak flows lead to coalescence of spherical micelles, while rodlike micelles are formed in strong flows. At phi = 0.3, the ellipsoidal micelles are disrupted into smaller spherical micelles in weak flow. For P123 at phi = 0.5, a fragile gyroid-type network formed at equilibrium can be easily disrupted into ellipsoidal micelles of very different sizes by a fairly weak shear force. (C) 2016 Elsevier B.V. All rights reserved.
引用
收藏
页码:457 / 466
页数:10
相关论文
共 50 条
  • [1] Modeling Viscoelastic Properties of Triblock Copolymers: A DPD Simulation Study
    Sliozberg, Yelena R.
    Andzelm, Jan W.
    Brennan, John K.
    Vanlandingham, Mark R.
    Pryamitsyn, Victor
    Ganesan, Venkat
    JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 2010, 48 (01) : 15 - 25
  • [2] Studies of chain conformation in triblock oligomers and microblock copolymers of ethylene and ethylene oxide
    Ding, YQ
    Rabolt, JF
    Chen, Y
    Olson, KL
    Baker, GL
    MACROMOLECULES, 2002, 35 (10) : 3914 - 3920
  • [3] Isolating the effects of morphology and chain architecture on the mechanical properties of triblock copolymers
    Qiao, Lei
    Leibig, Cora
    Hahn, Stephen F.
    Winey, Karen I.
    INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2006, 45 (16) : 5598 - 5602
  • [4] Chain conformation, dynamics, and morphology of adsorbed random copolymers.
    Nasreddine, V
    Reven, L
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : C107 - C107
  • [5] Studies of chain conformation in triblock oligomers and multiblock copolymers of ethylene and ethylene oxide.
    Ding, YQ
    Rabolt, JF
    Olson, KL
    Chen, YY
    Baker, GL
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 220 : U271 - U271
  • [6] A coarse grained simulation study on the morphology of ABA triblock copolymers
    Onarana, Gulsah
    Yurtsever, Mine
    Yilgor, Iskender
    COMPUTATIONAL MATERIALS SCIENCE, 2019, 167 : 160 - 167
  • [7] Influence of shear processing on morphology orientation and mechanical properties of styrene butadiene triblock copolymers
    Mahmood, Nasir
    Anton, Arthur Markus
    Gupta, Gaurav
    Babur, Tamoor
    Knoll, Konrad
    Thurn-Albrecht, Thomas
    Kremer, Friedrich
    Beiner, Mario
    Weidisch, Roland
    POLYMER, 2014, 55 (16) : 3782 - 3791
  • [8] DPD Simulation of conformation and behavior of end-grafted Diblock Copolymer under compression and shear
    Sirchabesan, Mohan
    Giasson, Suzanne
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231
  • [9] Computational study of the morphology and mechanical properties of dilute ABC triblock copolymers
    Chantawansri, Tanya L.
    Sliozberg, Yelena R.
    KOREA-AUSTRALIA RHEOLOGY JOURNAL, 2014, 26 (01) : 49 - 61
  • [10] Computational study of the morphology and mechanical properties of dilute ABC triblock copolymers
    Tanya L. Chantawansri
    Yelena R. Sliozberg
    Korea-Australia Rheology Journal, 2014, 26 : 49 - 61