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Computer simulation of dilute polymer solutions in transient elongational flows
Author(s) -
Saphiannikova Marina G.,
Darinskii Anatolii A.,
Dyakonova Nina E.
Publication year - 2000
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/1521-3919(20000601)9:5<270::aid-mats270>3.0.co;2-n
Subject(s) - polymer , mechanics , flow (mathematics) , amplitude , brownian dynamics , volumetric flow rate , elasticity (physics) , deformation (meteorology) , materials science , thermodynamics , brownian motion , chemistry , physics , composite material , optics , quantum mechanics
The behaviour of polymer molecules in solution flowing through a succession of contraction‐expansion zones was simulated using the Brownian dynamics method. The velocity profile of the flow field calculated previously, assuming that the flow modification in dilute polymer solution is negligible, was used. In the vicinity of the cell symmetry axis the flow can be described as an oscillatory elongational planar flow. The dumbbell with conformation‐dependent friction and elastic coefficients was chosen as a model for the polymer chain. When the initial state of the polymer chain entering the first contraction zone had corresponded to a gaussian coil the initial increase in the polymer deformation along the flow direction was observed. After some time independent of the flow rate, the amplitude of deformation gradually decreased to the stationary value further in the cell where the polymer deformation followed the flow oscillations. The amplitude of the deformation oscillations showed the critical behaviour: they increased for flow rates less than a critical value and did not change with further increase in the flow rate.