Issue 33, 2019

Pre-nucleation aggregation based on solvent microheterogeneity

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

Supplementary files

Article information

Article type
Communication
Submitted
20 Feb 2019
Accepted
01 Apr 2019
First published
01 Apr 2019

Chem. Commun., 2019,55, 4865-4868

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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