Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Mechanical relaxation of functionalized carbosilane dendrimer melts. / Sheveleva, Nadezhda N. ; Dolgushev, Maxim ; Lähderanta, Erkki; Markelov, Denis A. .
в: Physical Chemistry Chemical Physics, Том 24, № 21, 03.05.2022, стр. 13049-13056.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Mechanical relaxation of functionalized carbosilane dendrimer melts
AU - Sheveleva, Nadezhda N.
AU - Dolgushev, Maxim
AU - Lähderanta, Erkki
AU - Markelov, Denis A.
N1 - Publisher Copyright: © 2022 The Royal Society of Chemistry.
PY - 2022/5/3
Y1 - 2022/5/3
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85132387293&partnerID=8YFLogxK
U2 - 10.1039/d2cp00805j
DO - 10.1039/d2cp00805j
M3 - Article
VL - 24
SP - 13049
EP - 13056
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 21
ER -
ID: 96333124