Simulation of bead-and-spring chain models for semidilute polymer solutions in shear flow |
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| Authors: | S. W. Fetsko P. T. Cummings |
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| Affiliation: | (1) Department of Chemical Engineering, University of Virginia, 22903-2442 Charlottesville, Virginia, USA;(2) Department of Chemical Engineering, University of Tennessee, 37996-2200 Knoxville, Tennessee, USA;(3) Chemical Technology Division, Oak Ridge National Laboratory, 37831-6365 Oak Ridge, Tennessee, USA |
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| Abstract: | We report preliminary results of simulations of the steady-state rheological behavior for semidilute polymer solutions of head-and-spring chain models in planar Couette now. The simulations include examination of the effects of excluded volume. hydrodynamic interactions and density. Hydrodynamic interactions are modeled by the Rotne -Prager Yamakawa tensor. The simulations are based on the nonequilibrium Brownian dynamics algorithm of Ermak and McCammon. In addition to the spring potential between neighboring beads in the chain. the interaction between any two beads in the solution is modeled using a shifted, repulsive Leonard-Jones potential. Lees Edward sliding brick boundary conditions are used for consistency with the Couette flow field.Paper presented at the Twelfth Symposium on Thermophysical Properties. June 19–24. 1994, Boulder. Colorado. U.S.A. |
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| Keywords: | Brownian dynamics rheology semidilute polymer solutions viscosity |
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