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Phase behaviour of a simple fluid confined in a periodic porous material

Authors :
Stopper, D.
Schröder-Turk, G.E.
Mecke, K.
Roth, R.
Stopper, D.
Schröder-Turk, G.E.
Mecke, K.
Roth, R.
Source :
Stopper, D., Schröder-Turk, G.E. <
Publication Year :
2021

Abstract

Using density functional theory for a simple fluid of hard spheres with a square-well attraction, we study the phase behaviour of the fluid confined in triply periodic porous material, where the pore space is bounded by a bicontinuous minimal surface. We combine our numerical results with the morphometric thermodynamics, an ansatz that expresses thermodynamic quantities as a linear combination of four additive geometrical terms, and analyse the dependency of the transition point between a liquid and a gas on the geometrical properties of the confining space. By demonstrating that the morphometric approach can be employed in order to account for the thermodynamic behaviour of a simple fluid in a complex porous material, we make the first step towards a better understanding of experimental observations that can help to characterise the pore space.

Details

Database :
OAIster
Journal :
Stopper, D., Schröder-Turk, G.E. <
Notes :
English
Publication Type :
Electronic Resource
Accession number :
edsoai.on1276815754
Document Type :
Electronic Resource