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Volume 179, 2015
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Do solid-to-solid polymorphic transitions in dl-norleucine proceed through nucleation?

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Abstract

DL-Norleucine is a molecular crystal exhibiting two enantiotropic phase transitions. The high temperature α ↔ γ transition has been shown to proceed through nucleation and growth [Mnyukh et al., J. Phys. Chem. Solids, 1975, 36, 127]. We focus on the low temperature β ↔ α transition in a combined computational and experimental study. The temperature dependence of the structural and energetic properties of both polymorphic forms is nearly identical. Molecular dynamics simulations and nudged elastic band calculations of the transition process itself, suggest that the transition is governed by cooperative movements of bilayers over relatively large energy barriers.

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Submitted
10 Nov 2014
Accepted
04 Dec 2014
First published
16 Apr 2015

Faraday Discuss., 2015,179, 421-436
Article type
Paper
Author version available

Do solid-to-solid polymorphic transitions in DL-norleucine proceed through nucleation?

J. A. van den Ende, M. M. H. Smets, D. T. de Jong, S. J. T. Brugman, B. Ensing, P. T. Tinnemans, H. Meekes and H. M. Cuppen, Faraday Discuss., 2015, 179, 421
DOI: 10.1039/C4FD00214H

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