The melting point of chain polymers

摘要

Based upon a consideration of the siinilaity in the driving force of polymer cxystallization to the mesophase formation from the welt stale, the equilibrium melting point of chain polymers relatwg to the details of tnole~ilar structure —~ the impure environment of crystallites wgs studied by classical lattice statistics azid dynam~ ~ Carlo simulations. The compact packing energy change of local chains during crystal~*io~ ~ be represented as an orientation-dependent attraction in the lattice model. The resUli~ in a hmction of driving force, chain length, content of random comonomers, and content of the ib~ like small molecules or noncrystalline chains were compared with the semiempirical expremois t~ have been verified for several polymers. O6otI agreements were obtained. As a result, tl~ ~al lattice statistics can predict a disorder—order phase transition as well as a phase separaziomb~vicr in a mixture system containing polymers, and supply the thermodynamic background u~ eiI~ion details of these behaviors in computer simulations.