Macromolecules, 40 (16), 5978 -5984, 2007. 10.1021/ma070729t S0024-9297(07)00729-2
Web Release Date: July 4, 2007

Copyright © 2007 American Chemical Society

Modeling DNA in Confinement: A Comparison between the Brownian Dynamics and Lattice Boltzmann Method

Y.-L. Chen,* H. Ma, M. D. Graham, and J. J. de Pablo

Institute of Physics and Research Center for Applied Sciences, Academia Sinica, Taipei, Taiwan, R.O.C., and Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706

Received March 26, 2007

Revised Manuscript Received May 11, 2007

Abstract:

There is considerable interest in understanding the dynamics of complex fluids, including macromolecular solutions, in microfluidic devices. That interest has fueled the development of simulation techniques capable of describing the effect of hydrodynamic interactions in confined complex fluids. In this work, we examine the dynamics of DNA and the concomitant chain migration that arises in a parallel plate slit, at equilibrium and under pressure-driven flow. Results are presented from both the lattice Boltzmann method (LBM) and the Brownian dynamics simulations with fluctuating hydrodynamic interactions (BD-HI). It is found that the results of both methods are consistent with each other. We find that the lattice Boltzmann method is well-suited for long polymer chains as well as semidilute and concentrated DNA solutions, while Brownian dynamics is more efficient in dilute DNA solutions.


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