A theoretically reproduced phase diagram for vinylidene fluoride and trifluoroethylene copolymers

The phase diagram of ferroelectric copolymers of vinylidene fluoride and trifluoroethylene is reproduced theoretically using a simple model for ferroelectric polymers. The copolymerization ratio dependencies of the intramolecular interaction and the intermolecular interaction are induced to reproduce the phase diagram. These interactions have the following effects on the ferroelectric phase transition of the copolymers. The intermolecular interaction between vinylidene fluoride segments is dominant in the ferroelectric phase transition. The intramolecular interaction, discriminating between different chain conformations, gives the phase transition a variety of characters, including first and second order phase transitions. The copolymerization ratio dependence of the intermolecular interaction is also numerically estimated by summing the interaction energy between all atoms. Comparing these two results, we discuss the size of a segment carrying an elementary process of the phase transition.