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m-Hydroxybenzoic acid: quantifying thermodynamic stability and influence of solvent on the nucleation of a polymorphic system

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Show simple item record Svärd, Michael Rasmuson, Åke C. 2016-10-26T10:43:18Z 2016-10-26T10:43:18Z 2013
dc.description peer-reviewed en_US
dc.description.abstract Nucleation of m-hydroxybenzoic acid crystals in different pure solvents has been investigated, and the thermodynamic interrelationship between two polymorphs was analyzed. The melting properties and specific heat capacities of both polymorphs have been determined by differential scanning calorimetry, and the solubility in several solvents at different temperatures was measured gravimetrically. Absolute values of the Gibbs free energy, enthalpy and entropy of fusion, and the activity of the polymorphs have been determined as functions of temperature. It is established that the polymorphs are monotropically related, with differences in enthalpy and Gibbs free energy of approximately 1 kJ/mol at room temperature. In a total of 539 nucleation experiments, in six solvents and with different cooling rates, the visible onset of nucleation was recorded and the nucleating polymorph was isolated. It is found that the degree of supersaturation required for nucleation and the polymorphic outcome depend strongly on the solvent. The metastable polymorph is kinetically favored under all evaluated experimental conditions, and for most of the conditions it is also statistically the most probable outcome. Nucleation of the stable polymorph is increasingly promoted in solvents of increasing solubility. It is shown how this can be rationalized by analysis of solubility and rate of supersaturation generation. en_US
dc.language.iso eng en_US
dc.publisher American Chemical Society en_US
dc.relation.ispartofseries Crystal Growth and Design;13 (3), pp. 1140-1152
dc.rights © Year ACS This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth and Design, 2013, 13 (3), pp. 1140-1152 copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see en_US
dc.subject crystal nucleation en_US
dc.subject aqueous-solutions en_US
dc.subject gamma-clycine en_US
dc.title m-Hydroxybenzoic acid: quantifying thermodynamic stability and influence of solvent on the nucleation of a polymorphic system en_US
dc.type info:eu-repo/semantics/article en_US
dc.type.supercollection all_ul_research en_US
dc.type.supercollection ul_published_reviewed en_US 2016-10-22T11:11:10Z
dc.description.version ACCEPTED
dc.identifier.doi 10.1021/cg301483x
dc.contributor.sponsor SFI en_US
dc.contributor.sponsor Swedish Research Council en_US
dc.rights.accessrights info:eu-repo/semantics/openAccess en_US
dc.internal.rssid 1437013
dc.internal.copyrightchecked Yes
dc.identifier.journaltitle Crystal Growth & Design
dc.description.status peer-reviewed

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