Toward a Molecular Model for Aqueous Solutions of Nonpolar Fluids

0394165 - ÚCHP 2014 CN eng C - Conference Paper (international conference)
Jirsák, Jan - Škvor, J. - Nezbeda, Ivo
Toward a Molecular Model for Aqueous Solutions of Nonpolar Fluids.
Abstracts Volume. -: -, 2012, s. 46. ISBN N.
[International Symposium on Solubility Phenomena and Related Equilibrium Processes /15./. Qinhai Institiute of Salt Lakes, Xining (CN), 23.07.2012-27.07.2012]
R&D Projects: GA AV ČR IAA400720802
Grant - others:MŠMT(CZ) GPP208/12/P710
Institutional support: RVO:67985858
Keywords : nonpolar fluids * aqueous solution * simulation data
Subject RIV: CF - Physical ; Theoretical Chemistry
http://issp2012.csp.escience.cn/dct/page/65565

In the present contribution, an associating fluid model based on so-called pseudo-hard bodies is introduced and its application to water and aqueous solutions is demonstrated. The model has already been used by the group of the present authors to reproduce, qualitatively, anomalies of pure liquid water and some properties of aqueous mixtures.
Permanent Link: http://hdl.handle.net/11104/0222452