MONTE-CARLO SIMULATION OF POLYMERS IN STEADY POTENTIAL FLOWS

Authors
Citation
W. Carl et Jj. Depablo, MONTE-CARLO SIMULATION OF POLYMERS IN STEADY POTENTIAL FLOWS, Macromolecular theory and simulations, 3(1), 1994, pp. 177-184
Citations number
14
Categorie Soggetti
Polymer Sciences
ISSN journal
10221344
Volume
3
Issue
1
Year of publication
1994
Pages
177 - 184
Database
ISI
SICI code
1022-1344(1994)3:1<177:MSOPIS>2.0.ZU;2-H
Abstract
This work presents a study of the configurational properties of bead-s pring chains in steady-state potential flows. These properties are obt ained from off-lattice Monte Carlo simulations. The results of our sim ulations compare favourably with theoretical results for phantom chain s. We investigate the effects of excluded volume and hydrodynamic inte raction on the configurations of the chains, and compare our results t o the predictions of scaling arguments. The scaling law observed here for the latter case deviates from theoretical predictions but is in ag reement with findings reported from molecular dynamics simulations.