Pre-nucleation aggregation based on solvent microheterogeneity?
Chemical Communications Pub Date: 2019-04-01 DOI: 10.1039/C9CC01455A
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.
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Journal Name：Chemical Communications
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CAS no.: 89640-58-4
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