ISSN:
0887-6266
Keywords:
Fiber
;
persistence length
;
polyimide
;
Chemistry
;
Polymer and Materials Science
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
The transformation matrix method and the concept of virtual bonds has been applied to the study of the persistence lengths of two recently developed polyimide fibers, PMDA-PFMB, synthesized from pyromellitic dianhydride (PMDA) and 2,2′-bis(trifluoromethyl)-4,4′-diaminobiphenyl (PFMB), and BPDA-PFMB, synthesized from 3,3′,4,4′-biphenyltetracarboxylic dianhydride (BPDA) and PFMB. The elements of the averaged transformation matrices are obtained from a molecular dynamics trajectory of 1 ns and from a consideration of the symmetry of the torsion potential energy function for selected bonds. The persistence length is found to be ∼ 496 AÅ for PMDA-PFMB and ∼ 66 AÅ for BPDA-PFMB. The large persistence length of PMDA-PFMB, comparable to that of the rodlike polymer poly(benzobisoxazole) (PBO), is caused by the colinearity of the virtual bonds in the chain and the stiffness of the bond angles. The inclusion of the electrostatic interactions does not seem to affect the result significantly, although a very slight decrease (∼ 5%) of the persistence length was detected. The effect of substitution of methyl groups for the trifluoromethyl groups in these polyimide fibers is also studied, with an increase of ∼ 14% in the persistence length of PMDA-PFMB and ∼ 1.4% in the persistence length of BPDA-PFMB. Since a good solvent that would be appropriate for use in a light scattering measurement has not been found for either of these polyimide fibers, the theoretical estimates of the persistence length cannot be compared with experiment. © 1996 John Wiley & Sons, Inc.
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
Permalink
