Molecular Dynamics of Janus Nanodimers Dispersed in Lamellar Phases of a Block Copolymer.

ABSTRACT: We investigate structural and dynamical properties of Janus nanodimers (NDs) dispersed in lamellar phases of a diblock copolymer. By performing molecular dynamics simulations, we show that an accurate tuning of the interactions between NDs and copolymer blocks can lead to a close control of NDs' space distribution and orientation. In particular, NDs are preferentially found within the lamellae if enthalpy-driven forces offset their entropic counterpart. By contrast, when enthalpy-driven forces are not significant, the distribution of NDs, preferentially observed within the inter-lamellar spacing, is mostly driven by excluded-volume effects. Not only does the degree of affinity between host and guest species drive the NDs' distribution in the polymer matrix, but it also determines their spa

SUBMITTER: Burgos-Marmol JJ 

PROVIDER: S-EPMC8126030 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature