Free-energy barrier to melting of single-chain polymer crystallite

Details Free-energy barrier to melting of single-chain polymer crystallite Free-energy barrier to melting of single-chain polymer crystallite

2002-06-26

arxiv.org/abs/cond-mat/0206517v2

J Chem Phys 118, 3455(2003).

Physics

Condensed Matter

Soft Condensed Matter

AMS-Latex, 4 pages with 5 figures, submitted to Phys. Rev. Lett

Scientific paper

10.1063/1.1553980

We report Monte Carlo simulations of the melting of a single-polymer crystallite. We find that, unlike most atomic and molecular crystals, such crystallites can be heated appreciably above their melting temperature before they transform to the disordered "coil" state. The surface of the superheated crystallite is found to be disordered. The thickness of the disordered layer increases with superheating. However, the order-disorder transition is not gradual but sudden. Free-energy calculations reveal the presence of a large free-energy barrier to melting.

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