Monte Carlo simulation of self-avoiding lattice chains subject to oscillatory shear flow in polymer solution

Citation
Gq. Xu et al., Monte Carlo simulation of self-avoiding lattice chains subject to oscillatory shear flow in polymer solution, RHEOL ACT, 40(1), 2001, pp. 60-66
Citations number
39
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
RHEOLOGICA ACTA
ISSN journal
00354511 → ACNP
Volume
40
Issue
1
Year of publication
2001
Pages
60 - 66
Database
ISI
SICI code
0035-4511(200101)40:1<60:MCSOSL>2.0.ZU;2-3
Abstract
This paper has introduced a pseudo-potential in bond-fluctuation model to s imulate oscillatory shear flow of multiple self-avoiding chains in three di mensions following our previous work under simple shear flow. The oscillato ry flow field was reasonably reproduced by lattice Monte Carlo simulation u sing this pseudo-potential neglecting hydrodynamic interaction. By sampling the configuration distribution functions, the macroscopic viscoelasticity of semi-concentrated polymer solution was determined. Both Newtonian and no n-Newtonian regimes were studied. The complex modulus and dynamic viscosity exhibit a reasonable power relation with oscillatory frequency, which is c onsistent with present theories and experiments. Consequently, lattice Mont e Carlo simulation has been extended to model free-draining self-avoiding m ulti chains subject to oscillatory shear flow and to investigate associated viscoelasticity on the molecular level.