Conformation and diffusion of a single polyelectrolyte chain in confined spaces of nano/microchannels: Simulation and experiment

Myung Suk Chun, Duck Eui Lee, Chongyoup Kim

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    Abstract

    A coarse-grained modeling is based on the frnitely extendable nonlinear elastic (FENE) spring with long-range electrostatic and hydrodynamic interactions between pairs of beads, where both flexible and semiflexible chains are developed. We also consider steric and electrostatic interactions between the bead and the confining walls of different charge condition. Brownian dynamics simulations with the xanthan polyelectrolyte in bulk solutions and under confinement in a slit channel revealed an interesting crossover behavior from the 3D chain to a 2D one. For experimental verifications, single molecule visualization is performed on fluorescently labeled xanthan using an inverted epi-fluorescence microscope. Both the conformation and diffusivity of single xanthan molecules are characterized with variations of the chain confinement and solution environments. We discuss the scaling predictions to describe the source of the observed free-draining diffusion dynamics.

    Original languageEnglish
    Title of host publicationThe XVth International Congress on Rheology - The Society of Rheology 80th Annual Meeting
    Pages965-967
    Number of pages3
    DOIs
    Publication statusPublished - 2008
    Event15th International Congress on Rheology - Monterey, CA, United States
    Duration: 2008 Aug 32008 Aug 8

    Publication series

    NameAIP Conference Proceedings
    Volume1027
    ISSN (Print)0094-243X
    ISSN (Electronic)1551-7616

    Other

    Other15th International Congress on Rheology
    Country/TerritoryUnited States
    CityMonterey, CA
    Period08/8/308/8/8

    Keywords

    • Brownian dynamics simulation
    • Confined space
    • Conformation
    • Diffusion
    • Polyelectrolyte

    ASJC Scopus subject areas

    • Ecology, Evolution, Behavior and Systematics
    • Ecology
    • Plant Science
    • General Physics and Astronomy
    • Nature and Landscape Conservation

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