Influence of the molecular geometry on the formation of the self-assembled structures

被引：5

作者：

Baran, L. ^{[1
]}

机构：

[1] Marie Curie Sklodowska Univ, Dept Modelling Physicochem Processess, PL-20031 Lublin, Poland

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2019年 / 294卷

关键词：

Self-assembly; Molecular simulations; Order parameters; Supramolecular chemistry; ORGANIC COORDINATION NETWORKS; SUPRAMOLECULAR NETWORKS; BONDED NANOSTRUCTURES; 2D; DYNAMICS; PACKING; CHAINS; SIZE;

D O I：

10.1016/j.molliq.2019.111627

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

This paper presents simulations of the molecular dynamics and off-lattice Monte Carlo devoted to investigate self-assembly process of molecules with tetrapod architecture. Formation of diverse supramolecular networks were found, which were characterized by several structure and order parameters, such as two-dimensional structure factors and nematic order parameters. Moreover, it follows from the aforementioned functions that one of the most important factors driving the self-assembly phenomena is the molecular architecture and the presence of directional interactions. (C) 2019 Elsevier B.V. All rights reserved.

引用

页数：8

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