Variance reduced Brownian simulation of a bead-spring chain under steady shear flow considering hydrodynamic interaction effects

Citation
M. Kroger et al., Variance reduced Brownian simulation of a bead-spring chain under steady shear flow considering hydrodynamic interaction effects, J CHEM PHYS, 113(11), 2000, pp. 4767-4773
Citations number
50
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
113
Issue
11
Year of publication
2000
Pages
4767 - 4773
Database
ISI
SICI code
0021-9606(20000915)113:11<4767:VRBSOA>2.0.ZU;2-7
Abstract
To obtain numerical estimates for the properties of a model for polymers in dilute theta solutions in its long-chain limit we follow a stochastic appr oach to polymer kinetic theory. The model takes into account configuration- dependent hydrodynamic interaction (HI) and simplifies to the Zimm bead-spr ing chain model in the case of preaveraged HI, for which parameter-free "un iversal ratios" such as the ratio between radius of gyration and hydrodynam ic radius are known. The Chebyshev polynomial method and a variance reducti on simulation technique are used to implement an efficient Brownian dynamic s simulation. We resolve the full dependence of several characteristic rati os versus both chain length and hydrodynamic interaction parameter, we extr apolate their values to determine universal behaviors, and compare with ana lytical and experimental results. (C) 2000 American Institute of Physics. [ S0021-9606(00)51035-6].