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

The result's identifiers

  • 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>

Alternative languages

  • 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

  • Czech description

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

Result continuities

  • 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)

Others

  • Publication year

    2012

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Physical Chemistry B

  • ISSN

    1520-6106

  • e-ISSN

  • Volume of the periodical

    116

  • Issue of the periodical within the volume

    18

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    11

  • Pages from-to

    5468-5478

  • UT code for WoS article

    000303786500016

  • EID of the result in the Scopus database