Theodorakis P E, Paul W, Binder K
Institut für Physik, Johannes Gutenberg-Universität, Mainz, Germany.
Eur Phys J E Soft Matter. 2011 May;34(5):52. doi: 10.1140/epje/i2011-11052-5. Epub 2011 May 25.
Two-component bottle-brush polymers, where flexible side chains containing N = 20, 35 and 50 effective monomers are grafted alternatingly to a rigid backbone, are studied by Molecular Dynamics simulations, varying the grafting density [Formula: see text] and the solvent quality. Whereas for poor solvents and large enough [Formula: see text] the molecular brush is a cylindrical object with monomers of different type occupying locally the two different halves of the cylinder, for intermediate values of [Formula: see text] an axially inhomogeneous structure of "pearl-necklace" type is formed, where microphase separation between monomers of different type within a cluster takes place. These "pearls" have a strongly non-spherical ellipsoidal shape, due to the fact that several side chains cluster together in one "pearl". We discuss the resulting structures in detail and we present a comparison with the single-component bottle-brush case.
通过分子动力学模拟研究了双组分瓶刷聚合物，其中含有N = 20、35和50个有效单体的柔性侧链交替接枝到刚性主链上，同时改变接枝密度[公式：见正文]和溶剂性质。对于不良溶剂和足够大的[公式：见正文]，分子刷是一个圆柱形物体，不同类型的单体局部占据圆柱体的两个不同半部；而对于[公式：见正文]的中间值，会形成“珍珠项链”型的轴向不均匀结构，其中簇内不同类型单体之间发生微相分离。这些“珍珠”具有强烈的非球形椭球形状，这是因为几个侧链聚集在一个“珍珠”中。我们详细讨论了所得结构，并与单组分瓶刷情况进行了比较。
