Molecular Simulation of Aqueous Electrolyte Solubility. 3. Alkali-halide Salts and Their Mixtures in Water and in Hydrochloric Acid

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F12%3A00376870" target="_blank" >RIV/67985858:_____/12:00376870 - isvavai.cz</a>
Alternative codes found
RIV/44555601:13440/12:43883973
Result on the web
<a href="http://dx.doi.org/10.1021/jp301447z" target="_blank" >http://dx.doi.org/10.1021/jp301447z</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp301447z" target="_blank" >10.1021/jp301447z</a>

Result language
angličtina
Original language name
Molecular Simulation of Aqueous Electrolyte Solubility. 3. Alkali-halide Salts and Their Mixtures in Water and in Hydrochloric Acid
Original language description
We extend the osmotic ensemble Monte Carlo (OEMC) molecular simulation method (Moucka et al. J. Phys Chem. B 2011, 115, 78497861) for directly calculating the aqueous solubility of electrolytes and for calculating their chemical potentials as functions of concentration to cases involving electrolyte hydrates and mixed electrolytes, including invariant points involving simultaneous precipitation of several solutes.
Czech name
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Czech description
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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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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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