Self-Assembly of Optimally Packed Cylindrical Clusters inside Spherical Shells

J Phys Chem B. 2022 Sep 15;126(36):7059-7065. doi: 10.1021/acs.jpcb.2c04850. Epub 2022 Sep 1.

Abstract

Systems with short-range attraction and long-range repulsion can form ordered microphases in bulk and under confinement. Using grand canonical Monte Carlo simulations, we study a colloidal system with competing interactions under confinement in narrow spherical shells at thermodynamic conditions at which the hexagonal phase of cylindrical clusters is stable in bulk. We observe spontaneous formation of different ordered structures. The results of the simulations are in a very good agreement with the predictions of a simple mathematical model based on the geometry and optimal packing of colloidal clusters. The results of the simulations and the explanation provided by a relatively simple geometric model may be helpful in manufacturing copolymer nanocapsules and may indicate possible ways of coiling DNA strands on spherical objects.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Models, Theoretical*
  • Monte Carlo Method
  • Polymers* / chemistry
  • Thermodynamics

Substances

  • Polymers