Quantifying the inherent uncertainty associated with nucleation rates estimated from induction time data measured in small volumes

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Abstract

Unravelling the molecular complexities of crystal nucleation from solutions is predicated on our ability to measure and interpret high quality kinetic data. This allows us to link nucleation rates to supersaturation, as well as to kinetic rate expressions and their parameters, arising from mechanistic considerations. In this context it is vital to be able to assess the reliability of measured nucleation rate data. Accordingly this contribution details a statistical approach that
aims at quantifying the inherent uncertainty associated with nucleation rates obtained from induction time measurements carried out in small volumes. We investigate how uncertainties attached to nucleation rates propagate to mechanistic parameters derived from them, and make recommendations for experimental protocols, as well as data analysis strategies that minimize
said uncertainty. The approach is applied to induction time measurements obtained for benzoic acid/toluene solutions in a wide range of supersaturations.

Bibliographical metadata

Original languageEnglish
JournalCrystal Growth and Design
Early online date14 Apr 2017
DOIs
Publication statusPublished - 2017

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