Phase behavior of fluids in undulated nanopores

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F22%3A00560147" target="_blank" >RIV/67985858:_____/22:00560147 - isvavai.cz</a>
Alternative codes found
RIV/60461373:22340/22:43924826
Result on the web
<a href="https://hdl.handle.net/11104/0333163" target="_blank" >https://hdl.handle.net/11104/0333163</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevE.106.024801" target="_blank" >10.1103/PhysRevE.106.024801</a>

Result language
angličtina
Original language name
Phase behavior of fluids in undulated nanopores
Original language description
The geometry of walls forming a narrow pore may qualitatively affect the phase behavior of the confined fluid. Specifically, the nature of condensation in nanopores formed of sinusoidally shaped walls (with amplitude A and period P) is governed by the wall mean separation L as follows. For L > Lt, where Lt increases with A, the pores exhibit standard capillary condensation similar to planar slits. In contrast, for L < Lt , the condensation occurs in two steps, such that the fluid first condenses locally via bridging transition connecting adjacent crests of the walls, before it condenses globally. For the marginal value of L = Lt , all the three phases (gaslike, bridge, and liquidlike) may coexist. We show that the locations of the phase transitions can be described using geometric arguments leading to modified Kelvin equations. However, for completely wet walls, to which we focus on, the phase boundaries are shifted significantly due to the presence of wetting layers. In order to take this into account, mesoscopic corrections to the macroscopic theory are proposed. The resulting predictions are shown to be in a very good agreement with a density-functional theory even for molecularly narrow pores. The limits of stability of the bridge phase, controlled by the pore geometry, is also discussed in some detail.
Czech name
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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
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Project
<a href="/en/project/GA21-27338S" target="_blank" >GA21-27338S: Capacitive Deionisation: Insights from Molecular Modelling</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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