KOPS - The Institutional Repository of the University of Konstanz

Solvent Reorganization Contributions in Solute Transfer Thermodynamics :  Inferences from the Solvent Equation of State

Solvent Reorganization Contributions in Solute Transfer Thermodynamics :  Inferences from the Solvent Equation of State

Cite This

Files in this item

Files Size Format View

There are no files associated with this item.

PETER-TITTELBACH, Christine, Nico F. A. VAN DER VEGT, 2007. Solvent Reorganization Contributions in Solute Transfer Thermodynamics :  Inferences from the Solvent Equation of State. In: The Journal of Physical Chemistry B. 111(27), pp. 7836-7842. ISSN 1520-6106. eISSN 1520-5207. Available under: doi: 10.1021/jp0712708

@article{PeterTittelbach2007Solve-40237, title={Solvent Reorganization Contributions in Solute Transfer Thermodynamics :  Inferences from the Solvent Equation of State}, year={2007}, doi={10.1021/jp0712708}, number={27}, volume={111}, issn={1520-6106}, journal={The Journal of Physical Chemistry B}, pages={7836--7842}, author={Peter-Tittelbach, Christine and van der Vegt, Nico F. A.} }

<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/rdf/resource/123456789/40237"> <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/29"/> <dc:creator>van der Vegt, Nico F. A.</dc:creator> <dcterms:issued>2007</dcterms:issued> <bibo:uri rdf:resource="https://kops.uni-konstanz.de/handle/123456789/40237"/> <dcterms:title>Solvent Reorganization Contributions in Solute Transfer Thermodynamics :  Inferences from the Solvent Equation of State</dcterms:title> <dc:contributor>Peter-Tittelbach, Christine</dc:contributor> <foaf:homepage rdf:resource="http://localhost:8080/jspui"/> <dcterms:abstract xml:lang="eng">Solvation enthalpies of simple solutes contain contributions from (1) solute-solvent interactions and (2) solute-induced modifications of solvent-solvent interactions (solvent reorganization). It has recently been suggested in the literature that these contributions can, under certain conditions, be estimated with additional experimental data on thermodynamic response functions of the pure solvent (coefficient of thermal expansion, isothermal compressibility) and the solute solvation volume. We analyze and discuss these conditions based on computer simulations of a series of polar and nonpolar solutes in a polar and nonpolar liquid solvent.</dcterms:abstract> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2017-10-04T09:09:56Z</dcterms:available> <dc:language>eng</dc:language> <dc:contributor>van der Vegt, Nico F. A.</dc:contributor> <dc:creator>Peter-Tittelbach, Christine</dc:creator> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2017-10-04T09:09:56Z</dc:date> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/29"/> </rdf:Description> </rdf:RDF>

This item appears in the following Collection(s)

Search KOPS


Browse

My Account