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

Peter, Christine; van der Vegt, Nico F. A.

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

Dateien

Zu diesem Dokument gibt es keine Dateien.

Datum

2007

Autor:innen

Peter, Christine

van der Vegt, Nico F. A.

DOI (zitierfähiger Link)

https://doi.org/10.1021/jp0712708

Sammlungen

Chemie

Publikationstyp

Zeitschriftenartikel

Publikationsstatus

Published

Erschienen in

The Journal of Physical Chemistry B. 2007, 111(27), pp. 7836-7842. ISSN 1520-6106. eISSN 1520-5207. Available under: doi: 10.1021/jp0712708

Zusammenfassung

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.

Fachgebiet (DDC)

540 Chemie

Zitieren

ISO 690

PETER, 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. 2007, 111(27), pp. 7836-7842. ISSN 1520-6106. eISSN 1520-5207. Available under: doi: 10.1021/jp0712708

BibTex

@article{Peter2007Solve-40237,
  year={2007},
  doi={10.1021/jp0712708},
  title={Solvent Reorganization Contributions in Solute Transfer Thermodynamics :  Inferences from the Solvent Equation of State},
  number={27},
  volume={111},
  issn={1520-6106},
  journal={The Journal of Physical Chemistry B},
  pages={7836--7842},
  author={Peter, Christine and van der Vegt, Nico F. A.}
}

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