Chain Orientation in Polymer Networks:  Computer Simulations Using the Bond Fluctuation Model

1999 ◽  
Vol 32 (15) ◽  
pp. 5062-5071 ◽  
Author(s):  
C. W. Yong ◽  
P. G. Higgs
Keyword(s):  
Computer Simulations ◽  
Polymer Networks ◽  
Chain Orientation ◽  
Bond Fluctuation ◽  
Fluctuation Model

Trapped Entanglements in Polymer Networks

2007 ◽  
Vol 80 (5) ◽  
pp. 873-894 ◽  
Author(s):  
Michael Lang ◽  
Stefan Kreitmeier ◽  
Dietmar Göritz
Keyword(s):  
Graph Theory ◽  
Computer Simulations ◽  
Network Topology ◽  
Network Structure ◽  
Knot Theory ◽  
Polymer Networks ◽  
Initial Distribution ◽  
Ring Structures ◽  
Fluctuation Method ◽  
Bond Fluctuation

Abstract This work focuses on density, complexity, and experimentally observable effects of trapped entanglements in polymer networks. Using the bond-fluctuation method we crosslinked and end-linked systems with a random initial distribution of polymer and crosslinker. The structure of the generated networks has been analyzed by knot theory and graph theory concerning defects, ring structures, and trapped entanglements, resulting in a detailed description of network topology and connectivity. The knowledge on network structure is used to analyze computer simulations of swelling and solfraction experiments. The simulated swelling experiments show that the size of the fully swollen network depends strongly on the presence of trapped entanglements although the zero second Money-Rivlin term upon deformation indicates the absence of a tube like environment for individual network chains. Permanently trapped rings and the formation of network defects affect the weight of the measured gel component as function of the degree of crosslinking. The experimentally observed shift in size of the gel can be estimated based on the data of this study and is typically smaller than the shift due to ineffective reactions that lead to the formation of dangling rings and network defects.

Conformation and segmental mobility of a diluted single polymer chain simulated with bond fluctuation model

2012 ◽  
Vol 358 (12-13) ◽  
pp. 1452-1458 ◽  
Author(s):  
R. Sabater i Serra ◽  
C. Torregrosa-Cabanilles ◽  
J.M. Meseguer-Dueñas ◽  
J.L. Gómez Ribelles ◽  
J. Molina-Mateo
Keyword(s):  
Polymer Chain ◽  
Segmental Mobility ◽  
Single Polymer Chain ◽  
Bond Fluctuation ◽  
Fluctuation Model

Modeling polyethylene with the bond fluctuation model

1997 ◽  
Vol 106 (2) ◽  
pp. 738-748 ◽  
Author(s):  
V. Tries ◽  
W. Paul ◽  
J. Baschnagel ◽  
K. Binder
Keyword(s):  
Bond Fluctuation ◽  
Fluctuation Model

scholarly journals Conformation and dynamics of a diluted chain in the presence of an adsorbing wall: A simulation with the bond fluctuation model

2014 ◽  
Vol 402 ◽  
pp. 7-15 ◽  
Author(s):  
Roser Sabater i Serra ◽  
Constantino Torregrosa-Cabanilles ◽  
José María Meseguer Dueñas ◽  
José Luis Gómez Ribelles ◽  
José Molina-Mateo
Keyword(s):  
Bond Fluctuation ◽  
Fluctuation Model
Sign in / Sign up

Export Citation Format

Share Document