Department for the Modelling of Physico-Chemical Processes, Maria Curie-Skłodowska University, 20-031 Lublin, Poland.
J Chem Phys. 2019 Sep 14;151(10):104703. doi: 10.1063/1.5117887.
Using Monte Carlo simulations, we investigate the self-organization of Janus disks confined in two-dimensional slits. Janus particles are modeled as circles composed of attractive and repulsive parts. We consider the slits with identical walls and slits with competing walls (the so-called Janus-like pores). We investigate how the system morphology depends on the slit width, density, and temperature. Different unique orientationally ordered structures are found. The mechanism of formation of these structures is discussed in detail. We show that the anisotropic interactions between the confined molecules, the nature of the "walls," and the slit size strongly affect the self-organization.
我们通过蒙特卡罗模拟研究了受限在二维狭缝中的 Janus 盘的自组织。Janus 粒子被建模为由吸引力和排斥力部分组成的圆。我们考虑了具有相同壁的狭缝和具有竞争壁的狭缝（所谓的类 Janus 孔）。我们研究了系统形态如何取决于狭缝宽度、密度和温度。发现了不同独特的有向有序结构。详细讨论了这些结构形成的机制。我们表明，受限分子之间的各向异性相互作用、“壁”的性质和狭缝尺寸强烈影响自组织。
