SEMIFLEXIBLE CHAIN MOLECULES WITH NONUNIFORM CURVATURE .2. BROWNIAN DYNAMICS SIMULATIONS OF ELECTRIC DICHROISM ORIENTATION DYNAMICS

Citation
C. Hakansson et C. Elvingson, SEMIFLEXIBLE CHAIN MOLECULES WITH NONUNIFORM CURVATURE .2. BROWNIAN DYNAMICS SIMULATIONS OF ELECTRIC DICHROISM ORIENTATION DYNAMICS, Macromolecular theory and simulations, 6(1), 1997, pp. 13-27
Citations number
20
Categorie Soggetti
Polymer Sciences
ISSN journal
10221344
Volume
6
Issue
1
Year of publication
1997
Pages
13 - 27
Database
ISI
SICI code
1022-1344(1997)6:1<13:SCMWNC>2.0.ZU;2-0
Abstract
The hydrodynamically induced orientation dynamics of charged polymer m olecules during electric dichroism has been studied by Brownian dynami cs simulations. The effect of a locally changed flexibility or bending angle has been of special interest. The results show that simultaneou sly changing the bending angles and the corresponding force constants so as to keep the persistence length constant does not produce any lar ge changes in the orientation dynamics or molecular shape although, qu antitatively, a larger number of kinks in the chain will give a smalle r steady state orientation. Releasing the constraint of a fixed persis tence length when randomly increasing or decreasing the flexibility at different positions in the molecule drastically changes the dynamics, and the corresponding results are discussed and also compared with th e orientation obtained when introducing the inhomogeneities in a coope rative manner.