Volume 58, Number 2, April 2002
|Page(s)||215 - 221|
|Section||Atomic and molecular physics|
|Published online||01 August 2002|
Chain molecule deformation in a uniform flow —A computer experiment
Department of Physics and Center for Materials Physics
Pennsylvania State University, University Park - PA 16802, USA
2 Department of Physics, Pusan National University - Pusan 609-735, Korea
3 Benjamin Levich Institute and Department of Physics City College of the City University of New York - New York, NY 10031, USA
Accepted: 23 January 2002
We investigate the stretching of a polymer in a uniform flow using molecular dynamics (MD) simulations. Our MD simulations represent an ab-initio experiment with no explicit assumption for the dynamics of a single chain except for using the generic Lennard-Jones and the FENE potentials. In spite of the modest length of our simulated chains, the qualitative features of experiments on DNA are reproduced and the predictions of a wormlike chain theory are found to hold, with the polymer molecule being free draining at large extensions.
PACS: 36.20.-r – Macromolecules and polymer molecules / 87.15.-v – Biomolecules: structure and physical properties / 47.50.+d – Non-Newtonian fluid flows
© EDP Sciences, 2002
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