A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop?
This paper reports detailed simulations of adsorption and desorption of argon in closed end slit pores with the aim of investigating the existence of hysteresis. The classical thermodynamic approach implies that there should be no hysteresis in a closed end pore because it assumes that the condensed...
| Main Authors: | , , , |
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| Format: | Journal Article |
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Pergamon
2015
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| Online Access: | http://hdl.handle.net/20.500.11937/6342 |
| _version_ | 1848745048633507840 |
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| author | Fan, Chunyan Zeng, Y. Do, D. Nicholson, D. |
| author_facet | Fan, Chunyan Zeng, Y. Do, D. Nicholson, D. |
| author_sort | Fan, Chunyan |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | This paper reports detailed simulations of adsorption and desorption of argon in closed end slit pores with the aim of investigating the existence of hysteresis. The classical thermodynamic approach implies that there should be no hysteresis in a closed end pore because it assumes that the condensed phase is identical to a uniform bulk liquid and that the interface between the gas-like region and the dense adsorbate region is the same when the pore fills as when it empties. Our simulations show that hysteresis is possible and we support this assertion with evidence from a critical analysis of the classical equation. Our extensive results show that hysteresis can occur in closed end pores because of the continuous structuring of the adsorbed phase induced by the combined effects of the solid-fluid interaction and the fluid-fluid interaction. |
| first_indexed | 2025-11-14T06:11:10Z |
| format | Journal Article |
| id | curtin-20.500.11937-6342 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T06:11:10Z |
| publishDate | 2015 |
| publisher | Pergamon |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-63422019-02-19T04:26:20Z A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop? Fan, Chunyan Zeng, Y. Do, D. Nicholson, D. Desorption Slit pores Hysteresis Molecular simulation This paper reports detailed simulations of adsorption and desorption of argon in closed end slit pores with the aim of investigating the existence of hysteresis. The classical thermodynamic approach implies that there should be no hysteresis in a closed end pore because it assumes that the condensed phase is identical to a uniform bulk liquid and that the interface between the gas-like region and the dense adsorbate region is the same when the pore fills as when it empties. Our simulations show that hysteresis is possible and we support this assertion with evidence from a critical analysis of the classical equation. Our extensive results show that hysteresis can occur in closed end pores because of the continuous structuring of the adsorbed phase induced by the combined effects of the solid-fluid interaction and the fluid-fluid interaction. 2015 Journal Article http://hdl.handle.net/20.500.11937/6342 10.1016/j.ces.2014.08.018 Pergamon fulltext |
| spellingShingle | Desorption Slit pores Hysteresis Molecular simulation Fan, Chunyan Zeng, Y. Do, D. Nicholson, D. A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop? |
| title | A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop? |
| title_full | A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop? |
| title_fullStr | A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop? |
| title_full_unstemmed | A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop? |
| title_short | A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop? |
| title_sort | molecular simulation study of adsorption and desorption in closed end slit pores: is there a hysteresis loop? |
| topic | Desorption Slit pores Hysteresis Molecular simulation |
| url | http://hdl.handle.net/20.500.11937/6342 |