Hydration Thermodynamics by Simple Molecular Models

0397068 - ÚCHP 2014 JP eng C - Conference Paper (international conference)
Jirsák, Jan - Škvor, J. - Nezbeda, Ivo
Hydration Thermodynamics by Simple Molecular Models.
Scientific Program. -: -, 2013, 2P104. ISBN N.
[International Conference on Solution Chemistry /33./. Kyoto (JP), 07.07.2013-12.07.2013]
Grant - others:GA ČR(CZ) GPP208/12/P710
Institutional support: RVO:67985858
Keywords : simple molecular models * thermodynamics effects * fluid theory
Subject RIV: CF - Physical ; Theoretical Chemistry
http://www.solnchem.jp/33ICSC/

In the present contribution, an associating fluid theory based on simple, so-called primitive, models is described and its application to aqueous solutions demonstrated. The model has already been used by the group of the present authors to reproduce, qualitatively, the anomalies of pure liquid water and some properties of aqueous mixtures. An attempt is made to move further along this path toward a concise molecular-level understanding of hydration phenomena, especially the hydrophobic hydration.
Permanent Link: http://hdl.handle.net/11104/0224713