Journal article
Phase behaviour of a simple fluid confined in a periodic porous material
Molecular Physics, Art. e1906968
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
- Title
- Phase behaviour of a simple fluid confined in a periodic porous material
- Authors/Creators
- D. Stopper (Author/Creator) - Robert Bosch (Germany)G.E. Schröder-Turk (Author/Creator) - Murdoch UniversityK. Mecke (Author/Creator) - Friedrich-Alexander-Universität Erlangen-NürnbergR. Roth (Author/Creator) - University of Tübingen
- Publication Details
- Molecular Physics, Art. e1906968
- Publisher
- Taylor & Francis
- Identifiers
- 991005542531507891
- Murdoch Affiliation
- School of Mathematics, Statistics, Chemistry and Physics
- Language
- English
- Resource Type
- Journal article
UN Sustainable Development Goals (SDGs)
This output has contributed to the advancement of the following goals:
Source: InCites
Metrics
58 Record Views
InCites Highlights
These are selected metrics from InCites Benchmarking & Analytics tool, related to this output
- Collaboration types
- Industry collaboration
- Domestic collaboration
- International collaboration
- Citation topics
- 2 Chemistry
- 2.89 Ionic, Molecular & Complex Liquids
- 2.89.72 Vapor-Liquid Equilibria
- Web Of Science research areas
- Chemistry, Physical
- Physics, Atomic, Molecular & Chemical
- ESI research areas
- Physics