Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F11%3A00360756" target="_blank" >RIV/67985858:_____/11:00360756 - isvavai.cz</a>
Alternative codes found
RIV/44555601:13440/11:43878333
Result on the web
<a href="http://dx.doi.org/10.1021/jp202054d" target="_blank" >http://dx.doi.org/10.1021/jp202054d</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp202054d" target="_blank" >10.1021/jp202054d</a>

Result language
angličtina
Original language name
Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl
Original language description
We present a new and computationally efficient methodology using osmotic ensemble Monte Carlo (OEMC) simulation to calculate chemical potential concentration curves and the solubility of aqueous electrolytes.
Czech name
—
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
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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