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

Simulation and experiment

Myung S. Chun, Duck E. 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 publicationAIP Conference Proceedings
Pages965-967
Number of pages3
Volume1027
DOIs
Publication statusPublished - 2008 Sep 11
Event15th International Congress on Rheology - Monterey, CA, United States
Duration: 2008 Aug 32008 Aug 8

Other

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

Fingerprint

microchannels
beads
springs (elastic)
electrostatics
simulation
drainage
confining
diffusivity
slits
molecules
crossovers
hydrodynamics
microscopes
interactions
scaling
fluorescence
predictions

Keywords

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

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Conformation and diffusion of a single polyelectrolyte chain in confined spaces of nano/microchannels : Simulation and experiment. / Chun, Myung S.; Lee, Duck E.; Kim, Chongyoup.

AIP Conference Proceedings. Vol. 1027 2008. p. 965-967.

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

Chun, MS, Lee, DE & Kim, C 2008, Conformation and diffusion of a single polyelectrolyte chain in confined spaces of nano/microchannels: Simulation and experiment. in AIP Conference Proceedings. vol. 1027, pp. 965-967, 15th International Congress on Rheology, Monterey, CA, United States, 08/8/3. https://doi.org/10.1063/1.2964909
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