Order--disorder transitions of. pi. -conjugated polymers in condensed phases. II. Model calculations

Journal Article · Tue Jul 15 04:00:00 EDT 1986 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.451313· OSTI ID:5601587

Schweizer, K S

Numerical calculations of the phase behavior and spectroscopic properties of ..pi..-conjugated polymers are presented based on the theory developed in the preceding paper. The specific model studied includes the single chain statistics and the configuration-dependent polymer--solvent interactions. The detailed dependence of the transition temperature and coexistence region on solvent, defect formation energy, chain length, and polydispersity is established. Relevance of the equilibrium calculations to electronic absorption and light scattering measurements is discussed. Experimental implications of the results for the polydiacetylenes, and the effects of system-specific generalizations of the theory, are briefly considered.

• Research Organization: Sandia National Laboratories, Albuquerque, New Mexico 87185
• DOE Contract Number: AC04-76DP00789
• OSTI ID: 5601587
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 85:2; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360402* -- Polymers & Plastics-- Structure & Phase Studies-- (-1987)
ABSORPTION SPECTRA
CONFORMATIONAL CHANGES
DISPERSIONS
HYDROCARBONS
LIGHT SCATTERING
MIXTURES
ORDER-DISORDER TRANSFORMATIONS
ORGANIC COMPOUNDS
PHASE TRANSFORMATIONS
POLYACETYLENES
POLYENES
SCATTERING
SOLUTIONS
SPECTRA