Abstract
We explore the long-standing discrepancy between an experimentally observed sudden onset of the excluded-volume effect in stiff chains [Murakami , Macromolecules 13, 345 (1980)] and much more gradual onset seen by Monte Carlo simulations of the persistent self-avoiding walk model. We find by using various simulations and real-space renormalization methods that, while models incorporating parallel-bond inhibition enhance the excluded-volume effect, they have little effect on the abruptness of its onset. We also observe that relaxational simulations, which include reptationlike motion can, however, lead to a sudden onset much like in the experimental observation.
Published in:
Physical Review E 74,5 (2006) 051107;
Link to original published article:
http://dx.doi.org/10.1103/PhysRevE.74.051107
Date of Version
January 2006
Recommended Citation
Islam, M. F. and Nakanishi, H., "Modeling Gaussian-to-self-avoiding-walk crossover for stiff chain polymers" (2006). Department of Physics and Astronomy Faculty Publications. Paper 311.
https://docs.lib.purdue.edu/physics_articles/311