Atomic structure of a high polymer melt

摘要: We report a quantitative analysis of the detailed equilibrium atomic structure molten linear polyethylene, obtained using directed bridging Monte Carlo computer simulation techniques. The polydisperse sample has an average chain length 6000 backbone carbon atoms, or approximately 84000 g mol−1. This molecular weight greatly exceeds that used in previous atomistic studies, and is typical commercial grades are widely for injection moulded articles. large-scale allows direct measurement such properties as entanglement length, characteristic ratio, extended-range intermolecular packing density fluctuations which give rise to first sharp diffraction peak.