Evaluation of the lattice strain energy density in polyethylene crystals (original) (raw)

Macromolecules, 1989

Abstract

ABSTRACT Molecular energy calculations are used to assess the lattice strain energy density ε and the corresponding interfacial surface free energy σs in melt-crystallized polyethylene crystals. The quantity ε, which is defined as the difference in lattice energy density between an unstrained crystal and a strained crystal, is calculated with the use of published lattice expansion data. A strain-induced interfacial surface free energy σs of about 0.9 erg·cm-2 (mJ·m-2) was derived from the strain energy density for a lamellar thickness of around 14 nm. This result compares favorably with the value obtained in the recent extension of nucleation theory by J.D. Hoffman and R.L. Miller describing the geometry and the growth kinetic of curved-edge polyethylene crystals.

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