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

Open Access
Authors
  • J.A. van den Ende
  • M.M.H. Smets
  • D.T. de Jong
  • S.J.T. Brugman
  • B. Ensing
  • P.T. Tinnemans
  • H. Meekes
  • H.M. Cuppen
Publication date 2015
Journal Faraday Discussions
Volume | Issue number 179
Pages (from-to) 421-436
Organisations
  • Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
Abstract
DL-Norleucine is a molecular crystal exhibiting two enantiotropic phase transitions. The high temperature alpha <-> gamma 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 beta <-> alpha a 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.
Document type Article
Language English
Published at https://doi.org/10.1039/c4fd00214h
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