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剪切流中的星形嵌段共聚物

Star Block-Copolymers in Shear Flow.

作者信息

Jaramillo-Cano Diego, Formanek Maud, Likos Christos N, Camargo Manuel

机构信息

Faculty of Physics , University of Vienna , Boltzmanngasse 5 , A-1090 Vienna , Austria.

Centro de Investigaciones en Ciencias Básicas y Aplicadas , Universidad Antonio Nariño , Km 18 via Cali-Jamundí , 760030 Cali , Colombia.

出版信息

J Phys Chem B. 2018 Apr 12;122(14):4149-4158. doi: 10.1021/acs.jpcb.7b12229. Epub 2018 Mar 29.

Abstract

Star block-copolymers (SBCs) have been demonstrated to constitute self-assembling building blocks with specific softness, functionalization, shape, and flexibility. In this work, we study the behavior of an isolated SBC under a shear flow by means of particle-based multiscale simulations. We systematically analyze the conformational properties of low-functionality stars, as well as the formation of attractive patches on their corona as a function of the shear rate. We cover a wide range of system parameters, including functionality, amphiphilicity, and solvent quality. It is shown that SBCs display a richer structural and dynamical behavior than athermal star polymers in a shear flow [ Ripoll Phys. Rev. Lett. , 2006 , 96 , 188302 ], and, therefore, they are also interesting candidates to tune the viscoelastic properties of complex fluids. We identify three factors of patch reorganization under shear that lead to patch numbers and orientations depending on the shear rate, namely, free arms joining existing patches, fusion of medium-sized patches into bigger ones, and fission of large patches into two smaller ones under high shear rates. Because the conformation of single SBC is expected to be preserved in low-density bulk phases, the presented results are a first step in understanding and predicting the rheological properties of semidilute suspensions of this kind of polymers.

摘要

星形嵌段共聚物(SBCs)已被证明能构成具有特定柔软度、功能化、形状和柔韧性的自组装结构单元。在这项工作中,我们通过基于粒子的多尺度模拟研究了单个SBC在剪切流作用下的行为。我们系统地分析了低官能度星形聚合物的构象性质,以及其冠层上吸引性斑块的形成与剪切速率的关系。我们涵盖了广泛的系统参数,包括官能度、两亲性和溶剂质量。结果表明,与无热星形聚合物在剪切流中的行为相比,SBCs表现出更丰富的结构和动力学行为[里波尔,《物理评论快报》,2006年,第96卷,第188302页],因此,它们也是调节复杂流体粘弹性性质的有趣候选材料。我们确定了剪切作用下斑块重组的三个因素,这些因素导致斑块数量和取向取决于剪切速率,即自由臂连接现有斑块、中等大小斑块融合成更大的斑块以及在高剪切速率下大斑块分裂成两个较小的斑块。由于预计单个SBC的构象在低密度本体相中会保持不变,因此所呈现的结果是理解和预测这类聚合物半稀悬浮液流变性质的第一步。

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