Serna Horacio, Noya Eva G, Góźdź W T
Institute of Physical Chemistry of the Polish Academy of Sciences , Kasprzaka 44/52 , 01-224 Warsaw , Poland.
Instituto de Química Física Rocasolano , Consejo Superior de Investigaciones Científicas (CSIC) , Calle Serrano 119 , 28006 Madrid , Spain.
Langmuir. 2019 Jan 22;35(3):702-708. doi: 10.1021/acs.langmuir.8b03382. Epub 2019 Jan 14.
The behavior under confinement of nanoparticles interacting with the short-range attraction and long-range repulsion potential is studied by means of Monte Carlo simulations in the grand canonical ensemble. The study is performed at thermodynamic conditions at which a hexagonal cylindrical phase is the most stable phase in bulk. In these conditions, cylindrical confinement promotes the formation of helical structures whose morphology depends upon both the pore radius and boundary conditions. As the pore radius increases, the fluid undergoes a series of structural transitions going from single to multiple intertwined helices to concentric helical structures. When the pore ends are closed by planar walls, ring and toroidal clusters are formed next to these walls. Dependent upon the cylinder length, molecules away from the pore edges can either keep growing into ring and toroidal aggregates or arrange into helical structures. It is demonstrated that the system behaves in cylindrical confinement in the same way as the block copolymer systems. Such behavior has not been observed for the colloidal systems in cylindrical confinement with only repulsive interactions.
通过巨正则系综中的蒙特卡罗模拟研究了纳米粒子在短程吸引和长程排斥势作用下的受限行为。该研究是在热力学条件下进行的，在该条件下六方圆柱相是体相中最稳定的相。在这些条件下，圆柱受限促进了螺旋结构的形成，其形态取决于孔径和边界条件。随着孔径的增加，流体经历一系列结构转变，从单螺旋到多股缠绕螺旋再到同心螺旋结构。当孔的两端被平面壁封闭时，在这些壁附近会形成环和环形簇。根据圆柱长度的不同，远离孔边缘的分子要么继续生长成环和环形聚集体，要么排列成螺旋结构。结果表明，该系统在圆柱受限条件下的行为与嵌段共聚物系统相同。在仅具有排斥相互作用的圆柱受限胶体系统中尚未观察到这种行为。
