ChemRxiv
These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
1/1
0/0

Solvent Dynamics and Thermodynamics at the Crystal-Solution Interface of Ibuprofen

preprint
revised on 26.07.2019 and posted on 26.07.2019 by Veselina Marinova, Geoffrey P. F. Wood, Ivan Marziano, Matteo Salvalaglio
In this paper we apply molecular simulation techniques to analyse the dynamics and thermodynamics of nine solvents, i.e. water, 1-butanol, toluene, cyclohexanone, cyclohexane, acetonitrile, trichloromethane, methanol and ethyl acetate, at the interface with the morphologically relevant crystal faces {100}, {002}, {011} and {110} of ibuprofen.
The insight obtained from this analysis is used to rationalise the impact of the solvent choice on the growth shape of crystals.

History

Email Address of Submitting Author

m.salvalaglio@ucl.ac.uk

Institution

University College London

Country

United Kingdom

ORCID For Submitting Author

0000-0003-3371-2090

Declaration of Conflict of Interest

no conflict of interest

Version Notes

version 1.0

Exports

Logo branding

Exports