Publikation: Entropy Drives Calcium Carbonate Ion Association
Lade...
Dateien
Zu diesem Dokument gibt es keine Dateien.
Datum
2016
Autor:innen
Herausgeber:innen
ISSN der Zeitschrift
Electronic ISSN
ISBN
Bibliografische Daten
Verlag
Schriftenreihe
Auflagebezeichnung
DOI (zitierfähiger Link)
Internationale Patentnummer
Angaben zur Forschungsförderung
Projekt
Open Access-Veröffentlichung
Core Facility der Universität Konstanz
Titel in einer weiteren Sprache
Publikationstyp
Zeitschriftenartikel
Publikationsstatus
Published
Erschienen in
ChemPhysChem. 2016, 17(21), pp. 3535-3541. ISSN 1439-4235. eISSN 1439-7641. Available under: doi: 10.1002/cphc.201600653
Zusammenfassung
The understanding of the molecular mechanisms underlying the early stages of crystallisation is still incomplete. In the case of calcium carbonate, experimental and computational evidence suggests that phase separation relies on so-called pre-nucleation clusters (PNCs). A thorough thermodynamic analysis of the enthalpic and entropic contributions to the overall free energy of PNC formation derived from three independent methods demonstrates that solute clustering is driven by entropy. This can be quantitatively rationalised by the release of water molecules from ion hydration layers, explaining why ion association is not limited to simple ion pairing. The key role of water release in this process suggests that PNC formation should be a common phenomenon in aqueous solutions.
Zusammenfassung in einer weiteren Sprache
Fachgebiet (DDC)
540 Chemie
Schlagwörter
Konferenz
Rezension
undefined / . - undefined, undefined
Zitieren
ISO 690
KELLERMEIER, Matthias, Paolo RAITERI, John K. BERG, Andreas KEMPTER, Julian D. GALE, Denis GEBAUER, 2016. Entropy Drives Calcium Carbonate Ion Association. In: ChemPhysChem. 2016, 17(21), pp. 3535-3541. ISSN 1439-4235. eISSN 1439-7641. Available under: doi: 10.1002/cphc.201600653BibTex
@article{Kellermeier2016-11-04Entro-35760,
year={2016},
doi={10.1002/cphc.201600653},
title={Entropy Drives Calcium Carbonate Ion Association},
number={21},
volume={17},
issn={1439-4235},
journal={ChemPhysChem},
pages={3535--3541},
author={Kellermeier, Matthias and Raiteri, Paolo and Berg, John K. and Kempter, Andreas and Gale, Julian D. and Gebauer, Denis}
}RDF
<rdf:RDF
xmlns:dcterms="http://purl.org/dc/terms/"
xmlns:dc="http://purl.org/dc/elements/1.1/"
xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
xmlns:bibo="http://purl.org/ontology/bibo/"
xmlns:dspace="http://digital-repositories.org/ontologies/dspace/0.1.0#"
xmlns:foaf="http://xmlns.com/foaf/0.1/"
xmlns:void="http://rdfs.org/ns/void#"
xmlns:xsd="http://www.w3.org/2001/XMLSchema#" >
<rdf:Description rdf:about="https://kops.uni-konstanz.de/server/rdf/resource/123456789/35760">
<dc:contributor>Kempter, Andreas</dc:contributor>
<dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2016-10-27T09:09:06Z</dc:date>
<dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/52"/>
<dc:contributor>Kellermeier, Matthias</dc:contributor>
<dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/29"/>
<foaf:homepage rdf:resource="http://localhost:8080/"/>
<dc:contributor>Raiteri, Paolo</dc:contributor>
<dc:creator>Raiteri, Paolo</dc:creator>
<void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/>
<dc:language>eng</dc:language>
<dc:contributor>Berg, John K.</dc:contributor>
<dcterms:title>Entropy Drives Calcium Carbonate Ion Association</dcterms:title>
<dc:contributor>Gale, Julian D.</dc:contributor>
<dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/52"/>
<dc:contributor>Gebauer, Denis</dc:contributor>
<dcterms:issued>2016-11-04</dcterms:issued>
<dcterms:abstract xml:lang="eng">The understanding of the molecular mechanisms underlying the early stages of crystallisation is still incomplete. In the case of calcium carbonate, experimental and computational evidence suggests that phase separation relies on so-called pre-nucleation clusters (PNCs). A thorough thermodynamic analysis of the enthalpic and entropic contributions to the overall free energy of PNC formation derived from three independent methods demonstrates that solute clustering is driven by entropy. This can be quantitatively rationalised by the release of water molecules from ion hydration layers, explaining why ion association is not limited to simple ion pairing. The key role of water release in this process suggests that PNC formation should be a common phenomenon in aqueous solutions.</dcterms:abstract>
<dc:creator>Kellermeier, Matthias</dc:creator>
<dc:creator>Kempter, Andreas</dc:creator>
<dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/29"/>
<dc:creator>Gale, Julian D.</dc:creator>
<dc:creator>Berg, John K.</dc:creator>
<dc:creator>Gebauer, Denis</dc:creator>
<dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2016-10-27T09:09:06Z</dcterms:available>
<bibo:uri rdf:resource="https://kops.uni-konstanz.de/handle/123456789/35760"/>
</rdf:Description>
</rdf:RDF>Interner Vermerk
xmlui.Submission.submit.DescribeStep.inputForms.label.kops_note_fromSubmitter
Prüfungsdatum der Dissertation
Finanzierungsart
Kommentar zur Publikation
Allianzlizenz
Corresponding Authors der Uni Konstanz vorhanden
Internationale Co-Autor:innen
Universitätsbibliographie
Ja
