Abstract
AbstractThe behavior of dilute solutions of linear polyelectrolyte molecules both at equilibrium and under shear flow is modeled by using the Brownian dynamics simulation technique. The mathematical polymer model consists of a bead‐and‐spring chain with charged beads that interact through a screened Debye–Hückel potential as well as through FENE spring forces. In addition hydrodynamic interaction is included in the simulations. We also illustrate how to parameterize a real polyelectrolyte chain, using as an example the often studied sodium polystyrene sulfonate. This gives us an estimate of the values of the model parameters to be used in the simulations. The dependence of conformational and hydrodynamic properties on salt concentration (parameterized through the Debye length) and on electrostatic strength (related to the degree of ionization) is studied. It is found that the model describes many of the features of polyelectrolyte dilute solutions. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1–9, 2007
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Journal of Polymer Science Part B: Polymer Physics
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
