Phase behavior of fluids in undulated nanopores

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/60461373:22340/22:43924826

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Phase behavior of fluids in undulated nanopores

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Phase behavior of fluids in undulated nanopores

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Projekt

<a href="/cs/project/GA21-27338S" target="_blank" >GA21-27338S: Kapacitní deionizace: Porozumění pomocí molekulárního modelování</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

Physical Review E

ISSN

2470-0045

e-ISSN

2470-0053

Svazek periodika

106

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

16

Strana od-do

024801

Kód UT WoS článku

000862890200003

EID výsledku v databázi Scopus

2-s2.0-85136217083