By using extensive MD simulations the free-energy landscape of the crystallization process of a single polyethylene chain with N = 500 monomers is determined and the roles of both the potential energy and the entropy in shaping its gross features are discussed.
The free-energy landscape of single-molecule polymer crystals
LEPORINI, DINO
2007-01-01
Abstract
By using extensive MD simulations the free-energy landscape of the crystallization process of a single polyethylene chain with N = 500 monomers is determined and the roles of both the potential energy and the entropy in shaping its gross features are discussed.File in questo prodotto:
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