Phase behavior of patchy colloids confined in patchy porous media

Kalyuzhnyi, Yurij V. (avtor), Patsahan, Taras (avtor), Holovko, Myroslav (avtor), Cummings, Peter T. (avtor)

A simple model for functionalized disordered porous media is proposed and the effects of confinement on self-association, percolation and phase behavior of a fluid of patchy particles are studied. The media are formed by randomly distributed hard-sphere obstacles fixed in space and decorated by a certain number of off-center square-well sites. The properties of the fluid of patchy particles, represented by the fluid of hard spheres each bearing a set of the off-center square-well sites, are studied using an appropriate combination of the scaled particle theory for the porous media, Wertheim's thermodynamic perturbation theory, and Flory–Stockmayer theory. To assess the accuracy of the theory a set of computer simulations have been performed. In general, predictions of the theory appeared to be in good agreement with the computer simulation results. Confinement and competition between the formation of bonds connecting the fluid particles, and connecting fluid particles and obstacles of the matrix, gave rise to a re-entrant phase behavior with three critical points and two separate regions of the liquid–gas phase coexistence.

• Jezik: Angleški jezik
• Ključne besede: colloids, porous media, model
• Vrsta gradiva: Članek v reviji
• Tipologija: 1.01 - Izvirni znanstveni članek
• Organizacija: FKKT - Fakulteta za kemijo in kemijsko tehnologijo
• Status publikacije: Objavljeno
• Različica publikacije: Objavljena publikacija
• Leto izida: 2024
• Št. strani: Str. 4668-4677
• Številčenje: Vol. 16, no. 9
• PID: 20.500.12556/RUL-160082
• ISSN: 2040-3364
• eISSN: 2040-3372
• DOI: 10.1039/D3NR02866F
• Datum objave v RUL: 16.08.2024

Gradivo je del revije

• Naslov: Nanoscale
• Skrajšan naslov: Nanoscale
• Založnik: Royal Society of Chemistry
• ISSN: 2040-3364
• COBISS.SI-ID: 23642407

Licence

• Licenca: CC BY 3.0, Creative Commons Priznanje avtorstva 3.0 Nedoločena
• Povezava: https://creativecommons.org/licenses/by/3.0/deed.sl
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Sekundarni jezik

• Jezik: Slovenski jezik
• Ključne besede: koloidi, porozni medij, model

Projekti

• Financer: Drugi - Drug financer ali več financerjev
• Številka projekta: 2020.02/0317
• Naslov: MSCA4Ukraine project