Effect of trifluoroethylene monomers on molecular conformation of poly (vinylidene fluoride-trifluoroethylene) copolymer
Abstract
Hartree-Fock and density functional theory (DFT) methods were employed to study poly (vinylidene fluoride-trifluoroethylene) [P(VDF-TrFE)] molecular chains with different VDF contents. The dependence of dipole moment of P(VDF-TrFE) chains on VDF content obtained from our calculation is in good agreement with the experiment. The TrFE monomer plays an important role in introducing the gauche bond into copolymer chains. A possible mechanism was interpreted.
- Publication:
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Chinese Physics
- Pub Date:
- March 2004
- DOI:
- 10.1088/1009-1963/13/3/014
- Bibcode:
- 2004ChPhy..13..344L
- Keywords:
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- Hartree–Fock and B3LYP methods;
- P(VDF-TrFE) molecular chain;
- gauche bond