ISSN:
1435-1528
Keywords:
Key words Reptation model
;
stochastic simulations
;
full chain dynamics
;
independent alignment approximation
;
linear response
;
theory
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
Abstract A reptation model for the primitive chain that does not assume independent alignment or consistent-averaging for the retraction process, or equilibrium relaxation for the reptation process is proposed and compared to the analytical expressions of Doi and Edwards in single-step, double-step strains and steady-state shear flow. The Doi and Edwards model with independent alignment approximation underpredicts the magnitude of the relaxation modulus by 25%, and consistently overpredicts the magnitude of the damping function; for steady shear flow, it predicts the correct shape for the steady-state viscosity and the first normal stress difference coefficient, although the magnitude is incorrect. The analytical expressions of Doi and Edwards without independent alignment approximation are excellent approximations to the damping function. In double-step strains, the expressions of Doi assuming consistent averaging, but no independent alignment, predict well the stress decay following the second strain. Linear response theory is found to be invalid for describing the stress relaxation following single-step strain for the models considered. Similar to the Doi and Edwards model, no overshoot for the first normal stress difference is observed for the simulation model. Unlike the Doi equation derived without the independent alignment approximation but restricted to double-step strains, the simulation model proposed here can be easily generalized to complex flow fields. No contour length fluctuation or constraint release is considered in this model, and chain retraction is assumed to be instantaneous.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/s003970050069
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