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Thermodynamics and structure of supercooled water. II.

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F22%3A00562583" target="_blank" >RIV/67985858:_____/22:00562583 - isvavai.cz</a>

  • Alternative codes found

    RIV/44555601:13440/22:43897073

  • Result on the web

    <a href="https://hdl.handle.net/11104/0334889" target="_blank" >https://hdl.handle.net/11104/0334889</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.molliq.2022.120508" target="_blank" >10.1016/j.molliq.2022.120508</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Thermodynamics and structure of supercooled water. II.

  • Original language description

    Thermodynamic and structural properties of TIP4P/ice water have been studied in detail in the region of the expected occurrence of the second critical point. Various structure order parameters along with the Delaunay tessellation and density histogram have been used with a focus on their ability and mutual consistency to provide the necessary information. Whereas density histograms clearly show the bimodal distribution corresponding to the coexistence of two metastable density states, most of the standard structural parameters provided only information about the increase in the level of molecular order with lowered temperature. Only the parameter called the local structure index and parameters based on the Delaunay tessellation provided information consistent with the density histogram. The bimodality in these parameters has been connected to the anomalous behavior of the isothermal compressibility which increases in the supercooled region gaining the -shape form which a sign of the presence of the critical point. In addition, an attempt to link the structures of supercooled water to that of an underlying disordered ice is made.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10403 - Physical chemistry

Result continuities

  • Project

    <a href="/en/project/GA22-03380S" target="_blank" >GA22-03380S: Aqueous mixtures with salts under extreme conditions – accurate experiments, molecular simulations and modeling</a><br>

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2022

  • 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 Molecular Liquids

  • ISSN

    0167-7322

  • e-ISSN

    1873-3166

  • Volume of the periodical

    367

  • Issue of the periodical within the volume

    1 DEC

  • Country of publishing house

    NL - THE KINGDOM OF THE NETHERLANDS

  • Number of pages

    12

  • Pages from-to

    120508

  • UT code for WoS article

    000881198200010

  • EID of the result in the Scopus database

    2-s2.0-85139841393