Macromolecules, Vol.26, No.26, 7225-7228, 1993
Analysis of the Modes of Packing of the Alpha-Form and Beta-Form of Syndiotactic Polystyrene
Packing energy calculations have been performed on the alpha and beta forms of syndiotactic polystyrene by using three different sets of potential functions. In the case of the a form the modes of packing of the chains in the R3, P3, R3BAR, and P3BAR space groups have been considered. In the case of the beta form the P2(1)2(1)2, and Cmcm space groups have been considered. The results indicate that the energy of the beta form is lower than that of the alpha form for all the space groups considered, while the energies corresponding to the space groups of the alpha form are very similar. A statistical positioning of the chains can be realized at a low energy cost for both crystalline forms.
Keywords:CONFORMATIONAL-ANALYSIS;INTERMOLECULAR INTERACTIONS;CRYSTALLINE POLYMERS;ENERGY CALCULATIONS;POLYMORPHISM;POLYPROPYLENE;FIELD