Supercooled water in two dimensions: Structure and thermodynamics of the Mercedes-Benz model

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F23%3A00573919" target="_blank" >RIV/67985858:_____/23:00573919 - isvavai.cz</a>
Alternative codes found
RIV/44555601:13440/23:43897822
Result on the web
<a href="https://hdl.handle.net/11104/0344300" target="_blank" >https://hdl.handle.net/11104/0344300</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molliq.2023.122445" target="_blank" >10.1016/j.molliq.2023.122445</a>

Result language
angličtina
Original language name
Supercooled water in two dimensions: Structure and thermodynamics of the Mercedes-Benz model
Original language description
The two-dimensional Mercedes-Benz model of water has been studied by molecular simulations over a wide range of thermodynamic conditions as an attempt to locate the supercooled region where a liquid-liquid separation and, potentially, also other structures may occur. Both the correlation functions and a number of local structure factors have been used to identify different structural arrangements. These include, in addition to the hexatic phase, also the hexagon, pentagon, and quadruplet arrangements. All these structures result from the competition between the hydrogen bonding and Lennard-Jones interactions and their effect at different temperatures and pressures. Based on the obtained results, an attempt is made to sketch a (rather complex) phase diagram of the model.
Czech name
—
Czech description
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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

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

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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