Issue 21, 2022

Mechanical relaxation of functionalized carbosilane dendrimer melts

Abstract

Functionalizing the internal structure of classical dendrimers is a new way of tailoring their properties. Using atomistic molecular dynamics simulations, we investigate the rheological behavior of functionalized dendrimer (FD) melts obtained by modifying the branching of carbosilane dendrimers (CSD). The time (relaxation modulus G(t)) and frequency (storage G′ and loss G′′ moduli) dependencies of the dynamic modulus are obtained. Fourth generation FD melts present a region where G′ > G′′. In contrast, their non-functionalized counterparts (i.e., classical dendrimers with regular branching) do not show such a region. The comparative analysis of FD and CSD suggests that the internal densification due to functionalization prevents the penetration of branches and causes FD to behave like colloidal particles in a crowded environment. Since CSD have no special interactions, we expect that this effect will be common for other dendrimer macromolecules.

Graphical abstract: Mechanical relaxation of functionalized carbosilane dendrimer melts

Supplementary files

Article information

Article type
Paper
Submitted
17 Feb 2022
Accepted
03 May 2022
First published
03 May 2022

Phys. Chem. Chem. Phys., 2022,24, 13049-13056

Mechanical relaxation of functionalized carbosilane dendrimer melts

N. N. Sheveleva, M. Dolgushev, E. Lähderanta and D. A. Markelov, Phys. Chem. Chem. Phys., 2022, 24, 13049 DOI: 10.1039/D2CP00805J

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