Phase behavior of water-like models in nanoscopic pores of slit shape. Predictions from a density functional theory
We have explored the phase behavior of a set of water-like models in slit pores of nanoscopic dimensions. The interaction between water and pore walls mimics the graphite surface. A version of density functional method is used as theoretical tools. The fluid models are adopted from the work of Clark...
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| Format: | Article |
| Language: | English |
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Institute for Condensed Matter Physics
2021-10-01
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| Series: | Condensed Matter Physics |
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| Online Access: | https://doi.org/10.5488/CMP.24.33601 |
| _version_ | 1818719327438766080 |
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| author | O. Pizio S. Sokołowski V. M. Trejos |
| author_facet | O. Pizio S. Sokołowski V. M. Trejos |
| author_sort | O. Pizio |
| collection | DOAJ |
| description | We have explored the phase behavior of a set of water-like models in slit pores of nanoscopic dimensions. The interaction between water and pore walls mimics the graphite surface. A version of density functional method is used as theoretical tools. The fluid models are adopted from the work of Clark et al. [Mol. Phys., 2006 104, 3561]. They reproduce the bulk water vapor-liquid coexistence envelope adequately. Our principal focus is on changes of topology of the phase diagram of confined water and establishing trends of behavior of the crossover temperature between condensation and evaporation on the strength of water-graphite interaction potential. Growth of the water film on the pore walls is illustrated in terms of the density profiles. Theoretical results are discussed in context of computer simulation findings for water models in pores. |
| first_indexed | 2024-12-17T20:05:11Z |
| format | Article |
| id | doaj.art-443f594065be4284924011a2584d17da |
| institution | Directory Open Access Journal |
| issn | 1607-324X 2224-9079 |
| language | English |
| last_indexed | 2024-12-17T20:05:11Z |
| publishDate | 2021-10-01 |
| publisher | Institute for Condensed Matter Physics |
| record_format | Article |
| series | Condensed Matter Physics |
| spelling | doaj.art-443f594065be4284924011a2584d17da2022-12-21T21:34:21ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2224-90792021-10-013360110.5488/CMP.24.33601Phase behavior of water-like models in nanoscopic pores of slit shape. Predictions from a density functional theoryO. PizioS. SokołowskiV. M. TrejosWe have explored the phase behavior of a set of water-like models in slit pores of nanoscopic dimensions. The interaction between water and pore walls mimics the graphite surface. A version of density functional method is used as theoretical tools. The fluid models are adopted from the work of Clark et al. [Mol. Phys., 2006 104, 3561]. They reproduce the bulk water vapor-liquid coexistence envelope adequately. Our principal focus is on changes of topology of the phase diagram of confined water and establishing trends of behavior of the crossover temperature between condensation and evaporation on the strength of water-graphite interaction potential. Growth of the water film on the pore walls is illustrated in terms of the density profiles. Theoretical results are discussed in context of computer simulation findings for water models in pores.https://doi.org/10.5488/CMP.24.33601associating fluidsdensity functional theorywettingadsorptionwater models |
| spellingShingle | O. Pizio S. Sokołowski V. M. Trejos Phase behavior of water-like models in nanoscopic pores of slit shape. Predictions from a density functional theory Condensed Matter Physics associating fluids density functional theory wetting adsorption water models |
| title | Phase behavior of water-like models in nanoscopic pores of slit shape. Predictions from a density functional theory |
| title_full | Phase behavior of water-like models in nanoscopic pores of slit shape. Predictions from a density functional theory |
| title_fullStr | Phase behavior of water-like models in nanoscopic pores of slit shape. Predictions from a density functional theory |
| title_full_unstemmed | Phase behavior of water-like models in nanoscopic pores of slit shape. Predictions from a density functional theory |
| title_short | Phase behavior of water-like models in nanoscopic pores of slit shape. Predictions from a density functional theory |
| title_sort | phase behavior of water like models in nanoscopic pores of slit shape predictions from a density functional theory |
| topic | associating fluids density functional theory wetting adsorption water models |
| url | https://doi.org/10.5488/CMP.24.33601 |
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