Water and Aqueous Solutions: Simple Non-Speculative Model Approach
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F11%3A00367658" target="_blank" >RIV/67985858:_____/11:00367658 - isvavai.cz</a>
Alternative codes found
RIV/44555601:13440/11:43884974
Result on the web
<a href="http://dx.doi.org/10.1039/C1CP21903K" target="_blank" >http://dx.doi.org/10.1039/C1CP21903K</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/C1CP21903K" target="_blank" >10.1039/C1CP21903K</a>
Alternative languages
Result language
angličtina
Original language name
Water and Aqueous Solutions: Simple Non-Speculative Model Approach
Original language description
The method is based on considering only a short-range part of a total realistic potential (such as SPC/E or TIPxP) which determines the structure of water (and fluids in general). A simplification of the interactions at short intermolecular separations leads then to simple models, called primitive models. Quite accurate results in an analytic form for the thermodynamic properties of the models are obtained using the thermodynamic perturbation theory. It is shown that the properly constructed primitive models reproduce, qualitatively, anomalies of pure water and basic characteristics of hydrophobic hydration. The concept of an extended excluded volume, based on pseudo-hard bodies, is introduced and exemplified by considering the partial molar volume ofapolar solutes. Potential future development towards a theory of water based on the primitive models as a reference with the long-range contributions added as a perturbation is discussed.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
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Volume of the periodical
13
Issue of the periodical within the volume
44
Country of publishing house
GB - UNITED KINGDOM
Number of pages
15
Pages from-to
19689-19703
UT code for WoS article
000296383100003
EID of the result in the Scopus database
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