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
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.