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Solute clustering in undersaturated solutions –systematic dependence on time, temperature and concentration

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dc.contributor.author Svärd, Michael
dc.contributor.author Devi, Renuka K.
dc.contributor.author Khamar, Dikshitkumar
dc.contributor.author Mealey, Donal
dc.contributor.author Cheuk, Dominic
dc.contributor.author Zeglinski, Jacek
dc.contributor.author Rasmuson, Åke C.
dc.date.accessioned 2018-08-22T11:01:54Z
dc.date.available 2018-08-22T11:01:54Z
dc.date.issued 2018
dc.identifier.uri http://hdl.handle.net/10344/7089
dc.description peer-reviewed en_US
dc.description.abstract Molecular clustering and solvent–solute interactions in isopropanol solutions of fenoxycarb have been thoroughly and systematically investigated by dynamic light scattering, small-angle X-ray scattering, and nanoparticle tracking, supported by infrared spectroscopy and molecular dynamics simulations. The existence of molecular aggregates, clusters, ranging in size up to almost a micrometre is clearly recorded at undersaturated as well as supersaturated conditions by all three analysis techniques. The results systematically reveal that the cluster size increases with solute concentration and time at stagnant conditions. For most concentrations the time scale of cluster growth is of the order of days. In undersaturated solutions the size appears to eventually reach a maximum value, higher the higher the concentration. Below a certain concentration threshold clusters are significantly smaller. Clusters are found to be smaller in solutions pre-heated at a higher temperature, which offers a possible explanation for the so-called ‘‘history of solution’’ effect. The cluster distribution is influenced by filtration through membranes with a pore size of 0.1 mm, offering an alternative explanation for the ‘‘foreign particle-catalysed nucleation’’ effect. At moderate concentrations larger clusters appear to be sheared into smaller ones, but the original size distribution is rapidly re-established. At higher concentrations, although still well below solubility, the cluster size as well as solute concentration are strongly affected, suggesting that larger clusters contain at least a core of more organized molecules not able to pass through the filter. en_US
dc.language.iso eng en_US
dc.publisher Royal Society of Chemistry en_US
dc.relation.ispartofseries Physical Chemistry Chemical Physics;20, pp. 15550-15559
dc.relation.uri http://dx.doi.org/10.1039/c8cp01509k
dc.subject crystal nucleation en_US
dc.subject infrared spectroscopy en_US
dc.title Solute clustering in undersaturated solutions –systematic dependence on time, temperature and concentration 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.identifier.doi 10.1039/c8cp01509k
dc.contributor.sponsor Swedish Research Council en_US
dc.contributor.sponsor SFI en_US
dc.relation.projectid 2015-5240 en_US
dc.relation.projectid 12/RC/2275 en_US
dc.relation.projectid CM1402 en_US
dc.rights.accessrights info:eu-repo/semantics/openAccess en_US
dc.internal.rssid 2868295


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