Temperature-Dependent Elasticity of a Semicrystalline Interphase Composed of Freely Rotating Chains

摘要: We describe a method for determining the thermal and elastic properties of noncrystalline phase semicrystalline polymers (the “interphase”) by Monte Carlo simulations. The is applied to an interphase composed freely rotating polyethylene-like chains, studied previously Balijepalli Rutledge (J. Chem. Phys. 1998, 109, 6523). isochoric isobaric heat capacities, Gruneisen coefficients, expansion stiffnesses are reported. exhibits material comparable that corresponding melt, with significant contributions both enthalpic entropic origins. Through judicious selection moves, we approximate rate sensitivity stiffness normal crystal surface, C 33, on time scales long short, respectively, relative characteristic scale crystalline αc relaxation.