Application of group contribution approach to polar and polyfunctional aqueous solutes

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F46747885%3A24510%2F08%3A%230000068" target="_blank" >RIV/46747885:24510/08:#0000068 - isvavai.cz</a>
Result on the web
—
DOI - Digital Object Identifier
—

Result language
angličtina
Original language name
Application of group contribution approach to polar and polyfunctional aqueous solutes
Original language description
Estimates of physical or thermodynamic properties of organic compounds are often based on a group contribution approach or other quantitative structure-property relationship. Polar functional groups introduce a perturbation to intramolecular distributionof electrons, resulting in violation of a group additivity assumption known as structural or proximity effects. We propose a method for quantitative evaluation of these effects from experimental data and present the results for polar functional group contributions and their structural/ proximity effects calculated for several standard thermodynamic properties of hydration at ambient conditions and at high temperatures and pressures. Recommendations are provided for further developments of group contribution methods in aqueous solutions of organics.
Czech name
Aplikace příspěvkové metody na vodné roztoky polárních a polyfunkčních látek
Czech description
Diskuse o aplikaci příspěvkové metody na vodné roztoky polárních a polyfunkčních látek

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
—

Project
<a href="/en/project/1M0554" target="_blank" >1M0554: Advanced Remedial Technologies and Processes</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)