TY - GEN
T1 - Brownian dynamics simulations of polymer behavior in nanofluidic and microfluidic systems
AU - Kumar, Satish
PY - 2007
Y1 - 2007
N2 - Brownian dynamics (BD) is a stochastic simulation method that can quantitatively describe the non-equilibrium behavior of long polymers (∼1 micron contour length) over long time scales (∼1 s). With the increasing use of nanofluidic and microfluidic devices for the handling of biopolymers such as DNA, BD has the potential to be a powerful design tool for the separation and transport processes carried out in these devices. As a coarse-grained simulation method, BD also serves as a natural bridge between atomistic and continuum modeling. In this talk, an introduction to the Brownian dynamics simulation method will be given along with simulation results for some applications of current interest. The introduction will review basic molecular models for polymers (bead-rod, bead-spring) and the stochastic differential equations used to describe their dynamics. The applications will focus on polyelectrolyte adsorption and electrophoresis.
AB - Brownian dynamics (BD) is a stochastic simulation method that can quantitatively describe the non-equilibrium behavior of long polymers (∼1 micron contour length) over long time scales (∼1 s). With the increasing use of nanofluidic and microfluidic devices for the handling of biopolymers such as DNA, BD has the potential to be a powerful design tool for the separation and transport processes carried out in these devices. As a coarse-grained simulation method, BD also serves as a natural bridge between atomistic and continuum modeling. In this talk, an introduction to the Brownian dynamics simulation method will be given along with simulation results for some applications of current interest. The introduction will review basic molecular models for polymers (bead-rod, bead-spring) and the stochastic differential equations used to describe their dynamics. The applications will focus on polyelectrolyte adsorption and electrophoresis.
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U2 - 10.1115/ICNMM2007-30162
DO - 10.1115/ICNMM2007-30162
M3 - Conference contribution
AN - SCOPUS:37249012287
SN - 079184272X
SN - 9780791842720
T3 - Proceedings of the 5th International Conference on Nanochannels, Microchannels and Minichannels, ICNMM2007
SP - 1049
EP - 1051
BT - Proceedings of the 5th International Conference on Nanochannels, Microchannels and Minichannels, ICNMM2007
T2 - 5th International Conference on Nanochannels, Microchannels and Minichannels, ICNMM2007
Y2 - 18 June 2007 through 20 June 2007
ER -