Chain molecule deformation in a uniform flow—A computer experiment

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...

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Bibliographic Details
Published in:Europhysics letters 2002-04, Vol.58 (2), p.215-221
Main Authors: Cheon, M, Chang, I, Koplik, J, Banavar, J. R
Format: Article
Language:English
Subjects:
36.20.-r
47.50.+d
87.15.-v
Applied sciences
Exact sciences and technology
Organic polymers
Physicochemistry of polymers
Properties and characterization
Solution and gel properties
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Summary: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.
ISSN:0295-5075
1286-4854
DOI:10.1209/epl/i2002-00625-3