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Thermodynamics of fenoxycarb in solution

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dc.contributor.author Kuhs, Manuel
dc.contributor.author Svärd, Michael
dc.contributor.author Rasmuson, Åke C.
dc.date.accessioned 2015-05-18T15:17:25Z
dc.date.available 2015-05-18T15:17:25Z
dc.date.issued 2013
dc.identifier.uri http://hdl.handle.net/10344/4474
dc.description peer-reviewed en_US
dc.description.abstract The solubility of fenoxycarb has been determined between 278 and 318 K in several organic solvents. The solid phase at equilibrium and some indication of polymorphism has been properly examined by powder XRD, DSC, Raman and ATR-FTIR spectroscopy, solution 1H NMR and SEM. Using literature data the activity of the solid phase within a Raoult’s law definition has been calculated, based on which solution activity coefficients have been estimated. In ethyl acetate, the van’t Hoff enthalpy of solution is constant over the temperature range and equals the melting enthalpy. However, it is shown that the solution is slightly non-ideal with the heat capacity difference term compensating for the activity coefficient term. In toluene, the van’t Hoff enthalpy of solution is constant as well but clearly higher than the melting enthalpy. In methanol, ethanol and isopropanol, van Hoff curves are strongly non-linear, the slope however clearly approaching the melting enthalpy at higher temperatures. In all solvents, positive deviations from Raoult’s law are prevailing. The activity coefficients follow a decreasing order of isopropanol > ethanol > methanol > toluene > ethyl acetate, and in all solvents decrease monotonically with increasing temperature. The highest activity coefficient is about 18 corresponding to about 2.5 kJ/mol of deviation from ideality. en_US
dc.language.iso eng en_US
dc.publisher Elsevier en_US
dc.relation.ispartofseries The Journal of Chemical Thermodynamics;66, pp. 50-58
dc.relation.uri http://dx.doi.org/10.1016/j.jct.2013.06.007
dc.rights This is the author’s version of a work that was accepted for publication in The Journal of Chemical Thermodynamics. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in The Journal of Chemical Thermodynamics, 66, 55-58, http://dx.doi.org/10.1016/j.jct.2013.06.007 en_US
dc.subject solubility en_US
dc.subject activity en_US
dc.subject activity coefficient en_US
dc.subject van’t Hoff enthalpy en_US
dc.subject ideal solution en_US
dc.subject heat capacity en_US
dc.title Thermodynamics of fenoxycarb in solution 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 2015-05-18T15:05:39Z
dc.description.version ACCEPTED
dc.identifier.doi 10.1016/j.jct.2013.06.007
dc.contributor.sponsor SFI en_US
dc.contributor.sponsor Swedish Research Council en_US
dc.relation.projectid 10/IN.1/B3038 en_US
dc.relation.projectid (621-2010-5391) en_US
dc.rights.accessrights info:eu-repo/semantics/openAccess en_US
dc.internal.rssid 1572709
dc.internal.rssid 1444667
dc.internal.copyrightchecked Yes
dc.description.status peer-reviewed


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