|
Authors
|
Sumpter, B.G. ; Mays, J.W. ; Noid, D.W. ; Gido, S.P. ; Weidisch, R.
|
|
Title
|
Experimantal Design and Molecular Modeling of Novel Graft Copolymers
|
|
Date
|
31.12.2004
|
|
Number
|
11948
|
|
Abstract
|
The tensile properties of tetra-functional multigraft copolymers have been shown to have surprising high strain at break (~2100%), about double that of commercial thermoplastic elastomers such as Kraton! Currently, multigraft copolymers can be synthesized with a variety of branches (single, bi, tri-, tetra, and with different lengths) at each branch point and there can be a large number of branch points per molecule that are regularly, randomly, or heterogeneously spaced, each of which can have effects on mechanical properties. Unfortunately experimental synthesis and characterization of these novel polymer systems is quite time consuming. This is where molecular modeling and simulation can be critical for mapping out the fundamental mechanisms responsible for the observed behavior and to optimize/focus the experimental efforts. In this article we report details of our experimental synthetic and characterization effort along with some preliminary results from molecular dynamics, molecular mechanics, Monte Carlo, and normal mode analysis on tri- and tetra-functional, multibranch graft copolymers consisting of a polyisoprene backbone and polystyrene branches.
|
|
Publisher
|
Polymer News
|
|
Wikidata
|
|
|
Citation
|
Polymer News 29 (2004) 302-310
|
|
DOI
|
https://doi.org/10.1080/00323910490981443
|
|
Tags
|
|
