@inproceedings{32ffa5b51bf0495f89ed5eb45adbb76d,
title = "Electric field driven motion of flexible polyelectrolytes - A molecular dynamics study",
abstract = "Our work aims to develop multi-scale computational procedures for simulating the dielectrophoretic behavior of biomolecules in micro/nano-fluidics, which combine electrohydrodynamics with molecular theories for the macromolecule polarization caused by the distortion of the counterion cloud. Molecular dynamics is used to simulate the transport of a flexible polyelectrolyte suspended in a solvent, with or without added salt, under the action of electric fields. We used a model with explicit solvent atoms that includes hydrodynamic interactions and finite atom size effects naturally. The poly-electrolyte is modeled as a negatively charged freely-jointed bead-spring chain and its responses in dc and ac fields are studied in details. We developed a procedure to compute the dipole moments of the molecule and the surrounding double layer, which are required for the multi-scale simulation of dielectrophoretic phenomena in nanochannels.",
keywords = "Dielectrophoresis, Molecular dynamics, Multi-scale modeling, Nanochannels, Polarization",
author = "Lo, {T. S.} and B. Khusid and A. Acrivos and J. Koplik",
year = "2006",
language = "English (US)",
isbn = "0976798573",
series = "2006 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2006 Technical Proceedings",
pages = "513--516",
booktitle = "2006 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2006 Technical Proceedings",
note = "2006 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2006 Technical Proceedings ; Conference date: 07-05-2006 Through 11-05-2006",
}