Defining the pressures of a fluid in a nanoporous, heterogeneous medium
We describe the thermodynamic state of a single-phase fluid confined to a porous medium with Hill’s thermodynamics of small systems, also known as nanothermodynamics. This way of defining small system thermodynamics, with a separate set of control variables, may be useful for the study of transport...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2022-10-01
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| Series: | Frontiers in Physics |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fphy.2022.866577/full |
| _version_ | 1811181365922627584 |
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| author | Olav Galteland Michael T. Rauter Kevin K. Varughese Dick Bedeaux Signe Kjelstrup |
| author_facet | Olav Galteland Michael T. Rauter Kevin K. Varughese Dick Bedeaux Signe Kjelstrup |
| author_sort | Olav Galteland |
| collection | DOAJ |
| description | We describe the thermodynamic state of a single-phase fluid confined to a porous medium with Hill’s thermodynamics of small systems, also known as nanothermodynamics. This way of defining small system thermodynamics, with a separate set of control variables, may be useful for the study of transport in non-deformable porous media, where presently no consensus exists on pressure computations. For a confined fluid, we observe that there are two pressures, the integral and the differential pressures. We use molecular simulations to investigate and confirm the nanothermodynamic relations for a representative elementary volume (REV). For a model system of a single-phase fluid in a face-centered cubic lattice of solid spheres of varying porosity, we calculate the fluid density, fluid-solid surface tension, replica energy, integral pressure, entropy, and internal energy. |
| first_indexed | 2024-04-11T09:16:35Z |
| format | Article |
| id | doaj.art-f18f4a2323a04797be10e1d4a75c06f5 |
| institution | Directory Open Access Journal |
| issn | 2296-424X |
| language | English |
| last_indexed | 2024-04-11T09:16:35Z |
| publishDate | 2022-10-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Physics |
| spelling | doaj.art-f18f4a2323a04797be10e1d4a75c06f52022-12-22T04:32:20ZengFrontiers Media S.A.Frontiers in Physics2296-424X2022-10-011010.3389/fphy.2022.866577866577Defining the pressures of a fluid in a nanoporous, heterogeneous mediumOlav GaltelandMichael T. RauterKevin K. VarugheseDick BedeauxSigne KjelstrupWe describe the thermodynamic state of a single-phase fluid confined to a porous medium with Hill’s thermodynamics of small systems, also known as nanothermodynamics. This way of defining small system thermodynamics, with a separate set of control variables, may be useful for the study of transport in non-deformable porous media, where presently no consensus exists on pressure computations. For a confined fluid, we observe that there are two pressures, the integral and the differential pressures. We use molecular simulations to investigate and confirm the nanothermodynamic relations for a representative elementary volume (REV). For a model system of a single-phase fluid in a face-centered cubic lattice of solid spheres of varying porosity, we calculate the fluid density, fluid-solid surface tension, replica energy, integral pressure, entropy, and internal energy.https://www.frontiersin.org/articles/10.3389/fphy.2022.866577/fullnanothermodynamicsHill’s thermodynamics of small systemsporous mediamolecular simulationsintegral pressurerepresentative elementary volume |
| spellingShingle | Olav Galteland Michael T. Rauter Kevin K. Varughese Dick Bedeaux Signe Kjelstrup Defining the pressures of a fluid in a nanoporous, heterogeneous medium Frontiers in Physics nanothermodynamics Hill’s thermodynamics of small systems porous media molecular simulations integral pressure representative elementary volume |
| title | Defining the pressures of a fluid in a nanoporous, heterogeneous medium |
| title_full | Defining the pressures of a fluid in a nanoporous, heterogeneous medium |
| title_fullStr | Defining the pressures of a fluid in a nanoporous, heterogeneous medium |
| title_full_unstemmed | Defining the pressures of a fluid in a nanoporous, heterogeneous medium |
| title_short | Defining the pressures of a fluid in a nanoporous, heterogeneous medium |
| title_sort | defining the pressures of a fluid in a nanoporous heterogeneous medium |
| topic | nanothermodynamics Hill’s thermodynamics of small systems porous media molecular simulations integral pressure representative elementary volume |
| url | https://www.frontiersin.org/articles/10.3389/fphy.2022.866577/full |
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