Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5186602 | Polymer | 2008 | 5 Pages |
Abstract
All-atom molecular dynamic simulations were performed on isolated polybutadiene chains to study the retraction velocity of a free end of an idealized network chain from extended conformations due to thermal collisions. We compare the snap-back velocity calculated from these simulations with experimental measurements on bulk rubber samples. Over a range of chain lengths, extension ratios and temperatures, we find that the average retraction velocity of a free end seen in the simulations is about two orders of magnitude less than the experimental value.
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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
David E. Hanson,