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Mesophase separation of diblock copolymer confined in a cylindrical tube studied by dissipative particle dynamics

机译：耗散粒子动力学研究封闭在圆柱管中的二嵌段共聚物的中间相分离

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摘要

The morphologies of diblock copolymers confined in a cylindrical tube have been investigated by the dissipative particle dynamics (DPD) method. Results indicate that the morphology depends on the volume ratio of the immiscible blocks, the diameter of the cylindrical tube and the interactions between the blocks and between the confinement wall and blocks. For symmetric diblock copolymers, when the tube wall is uniform toward the two blocks, perpendicular lamellae or a stacked disk morphology are generally formed except when the diameter of the cylindrical tube is very small; in that case, a special bi-helix morphology forms because of the entropy effect. When the tube wall is non-uniform, as the diameter of the tube increases, perpendicular lamellae are first formed, then changing to parallel lamellae and, finally, back to perpendicular lamellae again. An intermediate morphology characterizing the transition between perpendicular and parallel lamellae is observed. If the non-uniformity of the wall is further enhanced, only parallel lamellae can be found. In the case of asymmetric diblock copolymers, more complex morphologies can be obtained. Multi-cylindrical micro-domains and a multilayer helical phase as well as other complex pictures are observed. Generally, the morphologies obtained could find their counterparts from experiments or Monte Carol simulations; however, differences do exist, especially in some cases of asymmetric diblock copolymers.
机译：通过耗散粒子动力学（DPD）方法研究了封闭在圆柱管中的二嵌段共聚物的形貌。结果表明，形态取决于不混溶块的体积比，圆柱形管的直径以及块之间以及围壁与块之间的相互作用。对于对称的二嵌段共聚物，当管壁在两个嵌段之间均一时，通常会形成垂直的薄片或堆叠的盘状形态，除非圆柱形管的直径很小。在这种情况下，由于熵效应，形成了特殊的双螺旋形态。当管壁不均匀时，随着管直径的增加，首先会形成垂直的薄片，然后变为平行的薄片，最后再回到垂直的薄片。观察到表征垂直和平行薄片之间过渡的中间形态。如果壁的不均匀性进一步增强，则只能发现平行的薄片。在不对称二嵌段共聚物的情况下，可以获得更复杂的形态。观察到多圆柱的微区和多层螺旋相以及其他复杂的图片。通常，从实验或蒙特卡罗模拟中可以找到获得的形态。但是，确实存在差异，特别是在某些不对称二嵌段共聚物的情况下。

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