The relationship between diffusion and dynamically accessible volume in polymer chain dynamics simulated with the bond fluctuation model

Polymer ◽  
2006 ◽  
Vol 47 (13) ◽  
pp. 4861-4865 ◽  
Author(s):  
J. Molina-Mateo ◽  
J.M. Meseguer-Dueñas ◽  
J.L. Gómez-Ribelles
Keyword(s):  
Polymer Chain ◽  
Chain Dynamics ◽  
Accessible Volume ◽  
Bond Fluctuation ◽  
The Relationship ◽  
Fluctuation Model

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

Cooperativity in the Conformational Rearrangements of Polymer Chain Segments as Seen by Bond Fluctuation Model

2009 ◽  
Vol 18 (6) ◽  
pp. 355-362 ◽  
Author(s):  
Constantino Torregrosa Cabanilles ◽  
José María Meseguer Dueñas ◽  
José Luis Gómez Ribelles ◽  
José Molina-Mateo
Keyword(s):  
Polymer Chain ◽  
Conformational Rearrangements ◽  
Bond Fluctuation ◽  
Fluctuation Model

Geometric distribution of Dynamically Accessible Volume in the Bond Fluctuation Model

Polymer ◽  
2007 ◽  
Vol 48 (11) ◽  
pp. 3361-3366 ◽  
Author(s):  
J. Molina-Mateo ◽  
J.M. Meseguer-Dueñas ◽  
J.L. Gómez-Ribelles
Keyword(s):  
Geometric Distribution ◽  
Accessible Volume ◽  
Bond Fluctuation ◽  
Fluctuation Model

scholarly journals The Persistence Length of Semiflexible Polymers in Lattice Monte Carlo Simulations

Polymers ◽  
2019 ◽  
Vol 11 (2) ◽  
pp. 295 ◽  
Author(s):  
Jing-Zi Zhang ◽  
Xiang-Yao Peng ◽  
Shan Liu ◽  
Bang-Ping Jiang ◽  
Shi-Chen Ji ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Persistence Length ◽  
Semiflexible Polymers ◽  
Lattice Monte Carlo ◽  
Chain Stiffness ◽  
Theoretical Predictions ◽  
Bond Fluctuation ◽  
The Relationship ◽  
Fluctuation Model

While applying computer simulations to study semiflexible polymers, it is a primary task to determine the persistence length that characterizes the chain stiffness. One frequently asked question concerns the relationship between persistence length and the bending constant of applied bending potential. In this paper, theoretical persistence lengths of polymers with two different bending potentials were analyzed and examined by using lattice Monte Carlo simulations. We found that the persistence length was consistent with theoretical predictions only in bond fluctuation model with cosine squared angle potential. The reason for this is that the theoretical persistence length is calculated according to a continuous bond angle, which is discrete in lattice simulations. In lattice simulations, the theoretical persistence length is larger than that in continuous simulations.

Simulation of polymer chain dynamics by lattice models with excluded volume: lattice dependence

1987 ◽  
Vol 20 (6) ◽  
pp. 1362-1368 ◽  
Author(s):  
Peter H. Verdier ◽  
David E. Kranbuehl
Keyword(s):  
Polymer Chain ◽  
Lattice Models ◽  
Excluded Volume ◽  
Chain Dynamics

Comparison of the long range polymer chain dynamics of polystyrene and cis-polyisoprene using polymers randomly labeled with pyrene

Polymer ◽  
2009 ◽  
Vol 50 (23) ◽  
pp. 5456-5466 ◽  
Author(s):  
Steven J. Teertstra ◽  
Wai Yau Lin ◽  
Mario Gauthier ◽  
Mark Ingratta ◽  
Jean Duhamel
Keyword(s):  
Long Range ◽  
Polymer Chain ◽  
Chain Dynamics
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