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Chinese Physics, 2004, Vol. 13(3): 344-347    DOI: 10.1088/1009-1963/13/3/014
ATOMIC AND MOLECULAR PHYSICS Prev   Next  

Effect of trifluoroethylene monomers on molecular conformation of poly (vinylidene fluoride-trifluoroethylene) copolymer

Li Ji-Chao (李吉超), Wang Chun-Lei (王春雷), Zhong Wei-Lie (钟维烈)
School of Physics and Microelectronics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China
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.
Keywords:  Hartree-Fock and B3LYP methods      P(VDF-TrFE) molecular chain      gauche bond  
Received:  11 June 2003      Revised:  15 September 2003      Accepted manuscript online: 
PACS:  31.15.E-  
  31.15.Ne  
  33.15.Bh (General molecular conformation and symmetry; stereochemistry)  
  36.20.Fz (Constitution (chains and sequences))  
  36.20.Hb (Configuration (bonds, dimensions))  
Fund: Project supported by the State Key Development Program for Basic Research of China (Grant No G1998061408).

Cite this article: 

Li Ji-Chao (李吉超), Wang Chun-Lei (王春雷), Zhong Wei-Lie (钟维烈) Effect of trifluoroethylene monomers on molecular conformation of poly (vinylidene fluoride-trifluoroethylene) copolymer 2004 Chinese Physics 13 344

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