Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.1869952
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dc.titleA Brownian dynamics study on the self-diffusion of charged tracers in dilute polyelectrolyte solutions
dc.contributor.authorZhou, T.
dc.contributor.authorChen, S.B.
dc.date.accessioned2014-06-16T09:23:49Z
dc.date.available2014-06-16T09:23:49Z
dc.date.issued2005-03-22
dc.identifier.citationZhou, T., Chen, S.B. (2005-03-22). A Brownian dynamics study on the self-diffusion of charged tracers in dilute polyelectrolyte solutions. Journal of Chemical Physics 122 (12) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.1869952
dc.identifier.issn00219606
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/53921
dc.description.abstractBrownian dynamics simulations with hydrodynamic interactions are conducted to investigate the self-diffusion of charged tracer particles in a dilute solution of charged polymers, which are modeled by bead-spring chains. The Debye-Hückel approximation is used for the electrostatic interactions. The hydrodynamic interactions are implemented by the Ewald summation of the Rotne-Prager tensor. Our simulations find that the difference in short- and long-time diffusivities is very slight in uncharged short-chain solutions. For charged systems, to the contrary, the difference becomes considerable. The short-time diffusivity is found to increase with increasing chain length, while an opposite behavior is obtained for the long-time diffusivity. The former is attributed to the hydrodynamic screening among beads in a same chain due to the bead connectivity. The latter is explained by the memory effect arising from the electrostatic repulsion and chain length. The incorporation of hydrodynamic interactions improves the agreement between the simulation prediction and the experimental result. © 2005 American Institute of Physics.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1063/1.1869952
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentCHEMICAL & BIOMOLECULAR ENGINEERING
dc.description.doi10.1063/1.1869952
dc.description.sourcetitleJournal of Chemical Physics
dc.description.volume122
dc.description.issue12
dc.description.page-
dc.description.codenJCPSA
dc.identifier.isiut000228287900060
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