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Issue 33, 2019
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Pre-nucleation aggregation based on solvent microheterogeneity

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Abstract

Investigation into pre-nucleation aggregates indicating hydrate formation of caffeine and theophylline in aqueous acetonitrile showed hydrate crystallisation at much lower water fraction than significant solute self-association. Molecular dynamics simulations indicate that the solvent separates on the molecular scale and that solute molecules preferentially localise on the phase interface.

Graphical abstract: Pre-nucleation aggregation based on solvent microheterogeneity

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Publication details

The article was received on 20 Feb 2019, accepted on 01 Apr 2019 and first published on 01 Apr 2019


Article type: Communication
DOI: 10.1039/C9CC01455A
Citation: Chem. Commun., 2019,55, 4865-4868

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    Pre-nucleation aggregation based on solvent microheterogeneity

    C. D. Jones, M. Walker, Y. Xiao and K. Edkins, Chem. Commun., 2019, 55, 4865
    DOI: 10.1039/C9CC01455A

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