Baran Łukasz, Borówko Małgorzata, Rżysko Wojciech, Smołka Jakub
Department of Theoretical Chemistry, Institute of Chemical Sciences, Faculty of Chemistry, Maria Curie-Sklodowska University in Lublin, Pl. M Curie-Sklodowskiej 3, 20-031 Lublin, Poland.
Department of Computer Science, Lublin University of Technology, Nadbystrzycka 36B, 20-618 Lublin, Poland.
ACS Omega. 2023 May 16;8(21):18863-18873. doi: 10.1021/acsomega.3c01180. eCollection 2023 May 30.
We use Monte Carlo simulations to investigate the behavior of Janus spheres composed of attractive and repulsive parts confined between two parallel solid surfaces. The slits with identical and competing walls are studied. The adsorption isotherms of Janus particles are determined, and the impact of the density in the pore on the morphology is discussed in detail. So far, this issue has not been systematically investigated. New, unique structures are observed along the isotherms, including the bilayer and three-layer structures located at different distances from the walls. We analyze how selected parameters affect the positional and orientational ordering in these layers. In some cases, the particles form highly ordered hexagonal lattices.
我们使用蒙特卡罗模拟来研究由吸引部分和排斥部分组成的Janus球在两个平行固体表面之间的行为。研究了具有相同壁面和竞争壁面的狭缝。确定了Janus颗粒的吸附等温线,并详细讨论了孔隙密度对形态的影响。到目前为止,这个问题尚未得到系统研究。沿着等温线观察到了新的、独特的结构,包括位于距壁面不同距离处的双层和三层结构。我们分析了所选参数如何影响这些层中的位置和取向有序性。在某些情况下,颗粒形成高度有序的六边形晶格。