Brownian dynamics simulation of bead–spring chain models for dilute polymer solutions in elongational flow

1995 ◽  
Vol 39 (2) ◽  
pp. 285-299 ◽  
Author(s):  
S. W. Fetsko ◽  
P. T. Cummings
Keyword(s):  
Brownian Dynamics ◽  
Polymer Solutions ◽  
Elongational Flow ◽  
Dynamics Simulation ◽  
Brownian Dynamics Simulation ◽  
Dilute Polymer Solutions

scholarly journals Nonlinear electro-osmosis of dilute non-adsorbing polymer solutions with low ionic strength

Soft Matter ◽  
2015 ◽  
Vol 11 (37) ◽  
pp. 7402-7411 ◽  
Author(s):  
Yuki Uematsu
Keyword(s):  
Ionic Strength ◽  
Kinetic Theory ◽  
Brownian Dynamics ◽  
Polymer Solutions ◽  
Dynamics Simulation ◽  
Brownian Dynamics Simulation ◽  
Low Salinity ◽  
Electro Osmosis ◽  
Low Ionic Strength

Nonlinear electro-osmosis of polymer solutions with low salinity is investigated using Brownian dynamics simulation and a kinetic theory.

Activity–crowding coupling effect on the diffusion dynamics of a self-propelled particle in polymer solutions

2019 ◽  
Vol 21 (43) ◽  
pp. 24112-24125 ◽  
Author(s):  
Chengli Yuan ◽  
Anpu Chen ◽  
Bingjie Zhang ◽  
Nanrong Zhao
Keyword(s):  
Anomalous Diffusion ◽  
Brownian Dynamics ◽  
Polymer Solutions ◽  
Coupling Effect ◽  
Dynamics Simulation ◽  
Active Particle ◽  
Brownian Dynamics Simulation ◽  
Diffusion Dynamics

The anomalous diffusion dynamics of an active particle in polymer solutions is studied based on a Langevin Brownian dynamics simulation.

Radiation Scattering by Dilute Polymer Solutions in Shear Flow: An Example of Mesoscale Modeling and Brownian Dynamics Simulation

2003 ◽  
Vol 13 (4) ◽  
pp. 200-208
Author(s):  
J.G. Hernández Cifre ◽  
J. García de la Torre
Keyword(s):  
Polymer Chain ◽  
Brownian Dynamics ◽  
Dynamics Simulation ◽  
Chain Model ◽  
Brownian Dynamics Simulation ◽  
Molecular Conformations ◽  
Dilute Polymer Solutions ◽  
Polymer Properties ◽  
Polymer Models ◽  
A Chain

Abstract The intention of the paper is to illustrate the ability of the Brownian dynamics simulation technique applied to mesoscale polymer models in order to reproduce light scattering experiments of dilute polymer solution under flow. After suitable parameterization of a real polymeric system, polystyrene solved in a oligostyrene/toluene mixture at 299 K (good solvent conditions), a bead-spring model of the polymer chain is built and used to generate molecular trajectories on a computer. Such trajectories will capture the deformational and orientational processes experienced by the real polymer chain under flow. Then, from the set of molecular conformations generated, several polymer properties as well as typical scattering patterns can be reproduced quite accurately. FENE springs were used and excluded volume and non-preaveraging hydrodynamic interaction were taken into account in order to build a chain model as realistic as needed.

Sign in / Sign up

Export Citation Format

Share Document