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Thermodynamics and nucleation kinetics of m-aminobenzoic acid polymorphs

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dc.contributor.author Svärd, Michael
dc.contributor.author Nordström, Fredrik
dc.contributor.author Jasnobulka, Tanja
dc.contributor.author Rasmuson, Åke C.
dc.date.accessioned 2016-10-26T11:46:39Z
dc.date.available 2016-10-26T11:46:39Z
dc.date.issued 2010
dc.identifier.uri http://hdl.handle.net/10344/5299
dc.description peer-reviewed en_US
dc.description.abstract The polymorphism of m-aminobenzoic acid has been investigated, Two polymorphs have been identified and characterized by X-ray powder diffraction (XRPD). Fourier transform IR (FTIR), microscopy, and thermal analysis. The melting properties and isobaric heat capacities of both polymorphs have been determined calorimetrically and the solubility each polymorph in several solvents at different temperatures has been determined gravimetrically. the solid-state activity i.e., the Gibs free energy of fusion) of each polymorph has been determined through a comprehensive heterodynamic analysis based oil experimental data. It is found that the polymorphs are enantiotropically related, with a stability transition temperature of 1-56.1 degrees C. Thc published crystal Structure belongs to the polymorph that is metastable at room temperature. Energy-temperature diagrams of both polymorphs have been established by determining the free energy. enthalphy, and entropy of fusion as a function of temperature. A total of 300 cooling crystallizations have been carried out at constant cooling rate using different saturation temperatures and solvents. and the visible Onset of primary nucleation was recorded. The results show that for this Substance the polymorph that will nucleatic depends chiefly on the solvent. In water and Methanol solutions the stable form I was obtained in all experiments, whereas in acetonitrile, a majority of nucleation experiments resulted in the isolation of the metastable form II. It is shown how this call be rationalized by analysis Of Solubility, solution speciation. and nucleation relationships. The importance of carrying out multiple experiments at identical conditions in nucleation Studies of polymorphic systems is demonstrated. en_US
dc.language.iso eng en_US
dc.publisher American Chemical Society en_US
dc.relation.ispartofseries Crystal Growth and Design;10 (1), pp. 195-204
dc.relation.uri http://pubs.acs.org/doi/abs/10.1021/cg900850u
dc.relation.uri Ake.Rasmuson@ul.ie
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, 2010 10 (1) pp. 195-204, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/cg900850u en_US
dc.subject META en_US
dc.subject dissociation constants en_US
dc.subject amino-acids en_US
dc.subject meta en_US
dc.title Thermodynamics and nucleation kinetics of m-aminobenzoic acid polymorphs 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
dc.date.updated 2016-10-22T10:07:37Z
dc.description.version ACCEPTED
dc.identifier.doi 10.1021/cg900850u
dc.rights.accessrights info:eu-repo/semantics/openAccess en_US
dc.internal.rssid 1128336
dc.internal.copyrightchecked Yes
dc.identifier.journaltitle Crystal Growth & Design
dc.description.status peer-reviewed


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