Journal of Physical Chemistry B, Vol.107, No.47, 13192-13200, 2003
Birefringence, deformation, and scattering of wormlike macromolecules under an external agent. Steady-state properties in an electric field
In this paper, we study the steady-state birefringence, deformation, and scattering of wormlike macromolecules under the influence of an electric field. We use a model of N + 1 pointlike elements whose connectors define N axially symmetric subunits. The model is able to describe some properties of segmentally flexible and wormlike macromolecules depending on the choice of N. We use the Monte Carlo computer simulation technique to characterize the effect of the electric field on the orientation and deformation of molecules with permanent and induced dipoles. Using this technique, we study the effect of the field in different models with the same flexibility (defined as (0)/(0,str)). Orientation is studied through changes in birefringence and deformation through changes in the gyration tensor of the molecule. When the behavior of a broken rod (typical case of segmental flexibility) and a wormlike chain is compared, the differences are generally quantitative although significant enough to be used to obtain information about the internal structure of a macromolecule.