A Monte Carlo study of polymer network dynamics

Citation
Lx. Zhang et al., A Monte Carlo study of polymer network dynamics, EUR POLYM J, 36(8), 2000, pp. 1607-1611
Citations number
16
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
EUROPEAN POLYMER JOURNAL
ISSN journal
00143057 → ACNP
Volume
36
Issue
8
Year of publication
2000
Pages
1607 - 1611
Database
ISI
SICI code
0014-3057(200008)36:8<1607:AMCSOP>2.0.ZU;2-E
Abstract
Junction fluctuations in a polymer network are investigated by using the Mo nte Carlo method. In our calculation, a modified bend-fluctuation model is adopted. In our model, the kuhnian bond lengths are set to vary between 2 a nd 4, which is different from the lengths between 2 and root 10 of the stan dard model. It is found that the average fluctuations of junctions i and j may be expressed in the form of [Delta R-i(2)]/[r(2)](0) = a/(phi - 1) + b(phi = 3, 4, 5, 6) [Delta R(i)Delta R-j]/[r(2)](0) = a'/(phi - 1) + b'(phi = 3, 4, 5, 6) where a = 0.83, b = -0.076, a' = 0.06, b' = 0.0075, and [r(2)](0) is the me an-square end-to-end distance of two adjacent junction points and phi is th e junction functionality. Comparisons with the Cayley tree model are also m ade. Our method uses real, rather than phantom, chains, and this method can be used to investigate the dynamics of polymer network chains. (C) 2000 El sevier Science Ltd. All rights reserved.