We report results of Brownian dynamics simulations of the steady state and transient rheological behavior of bead and spring chain models in elongational flow. The simulations include examination of the effects of excluded volume, hydrodynamic interactions, chain length, and maximum bond extension. Hydrodynamic interactions are modeled by the Rotne–Prager–Yamakawa tensor. The steady state results for the rheological properties of finitely extensible nonlinear elastic (FENE) chains in the absence of hydrodynamic interactions and excluded volume interactions are compared with the analytic FENE‐PM theory of Wedgewood and co‐workers. For bead and spring models with short bond lengths, excluded volume and hydrodynamic interactions are shown to affect the steady state rheological properties significantly.
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March 1995
Research Article|
March 01 1995
Brownian dynamics simulation of bead–spring chain models for dilute polymer solutions in elongational flow
S. W. Fetsko;
S. W. Fetsko
Department of Chemical Engineering, Chemical Engineering Building, University of Virginia, Charlottesville, Virginia 22903‐2442
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P. T. Cummings
P. T. Cummings
Department of Chemical Engineering, 419 Dougherty Engineering Building, University of Tennessee, Knoxville, Tennessee 37996‐2200
Chemical Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831‐6268
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J. Rheol. 39, 285–299 (1995)
Article history
Received:
April 08 1994
Accepted:
November 01 1994
Citation
S. W. Fetsko, P. T. Cummings; Brownian dynamics simulation of bead–spring chain models for dilute polymer solutions in elongational flow. J. Rheol. 1 March 1995; 39 (2): 285–299. https://doi.org/10.1122/1.550722
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