A combined numerical and analytic investigation of the solution properties of conjugated polymers will be carried out. The focus will be on the interplay between conformational and electronic degrees of freedom. The model is based on the Huckel theory for the pi electrons with explicit dependence of the resonance integrals on bond rotation angles. It is planned to carry out exact diagonalizations of the electronic Hamiltonian, including the statistical freedom in the rotation angles, using Monte Carlo methods. Subsequent studies will include side-group interactions, elastic energies, and Coulomb correlations as well as external fields (electric and hydrodynamic). The numerical studies will be augmented by various analytic methods for limiting cases; these include high-temperature expansions, RG calculations, boson representations, etc. A goal is to confront such experimental quantities as optical absorption, frequency dependent dielectric function, neutron and light scattering structure factors, and viscoelastic properties.//

Agency
National Science Foundation (NSF)
Institute
Division of Materials Research (DMR)
Application #
8906783
Program Officer
G. Bruce Taggart
Project Start
Project End
Budget Start
1989-08-15
Budget End
1993-01-31
Support Year
Fiscal Year
1989
Total Cost
$195,826
Indirect Cost
Name
University of California Santa Barbara
Department
Type
DUNS #
City
Santa Barbara
State
CA
Country
United States
Zip Code
93106