Molecular Dynamics Simulation and Theoretical Model of Elasticity in Slide-Ring Gels

In this study, molecular dynamics (MD) simulations were carried out on the uniaxial deformation of slide-ring (SR) networks with slidable cross-links to understand the relationship between the sliding of the cross-linking points and the Young’s moduli of SR gels, which are lower than those of covale...

Full description

Saved in:
Bibliographic Details
Published inACS macro letters Vol. 9; no. 9; pp. 1280 - 1285
Main Authors Yasuda, Yusuke, Masumoto, Takeyoshi, Mayumi, Koichi, Toda, Masatoshi, Yokoyama, Hideaki, Morita, Hiroshi, Ito, Kohzo
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 15.09.2020
Online AccessGet full text
ISSN2161-1653
2161-1653
DOI10.1021/acsmacrolett.0c00194

Cover

More Information
Summary:In this study, molecular dynamics (MD) simulations were carried out on the uniaxial deformation of slide-ring (SR) networks with slidable cross-links to understand the relationship between the sliding of the cross-linking points and the Young’s moduli of SR gels, which are lower than those of covalently cross-linked gels with the same cross-linking densities. The slidability of the cross-links in SR gels was characterized by the rate of change of the segment number between the cross-links, N slide, estimated by the MD simulation. We have successfully constructed a molecular model for the elasticity of SR gels and proposed a simple equation for the Young’s moduli of SR gels as a function of N slide. The theoretical model was compared with the MD simulation results and experimental data.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:2161-1653
2161-1653
DOI:10.1021/acsmacrolett.0c00194