dc.contributor.author | Galteland, Olav | |
dc.contributor.author | Bering, Eivind | |
dc.contributor.author | Kristiansen, Kim | |
dc.contributor.author | Bedeaux, Dick | |
dc.contributor.author | Kjelstrup, Signe | |
dc.date.accessioned | 2023-02-13T12:33:39Z | |
dc.date.available | 2023-02-13T12:33:39Z | |
dc.date.created | 2022-10-04T09:17:19Z | |
dc.date.issued | 2022 | |
dc.identifier.citation | Nanoscale Advances. 2022, 4 (12), 2660-2670. | en_US |
dc.identifier.uri | https://hdl.handle.net/11250/3050390 | |
dc.description.abstract | We have investigated the state of a nanoconfined fluid in a slit pore in the canonical and isobaric ensembles. The systems were simulated with molecular dynamics simulations. The fluid has a transition to a close-packed structure when the height of the slit approaches the particle diameter. The Helmholtz energy is a non-convex function of the slit height if the number of particles does not exceed that of one monolayer. As a consequence, the Legendre transform cannot be applied to obtain the Gibbs energy. The Gibbs energy of a non-deformable slit pore can be transformed into the Helmholtz energy of a deformable slit pore using the Legendre-Fenchel transform. The Legendre-Fenchel transform corresponds to the Maxwell construction of equal areas. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Royal Society of Chemistry | en_US |
dc.rights | Navngivelse 4.0 Internasjonal | * |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/deed.no | * |
dc.title | Legendre-Fenchel transforms capture layering transitions in porous media | en_US |
dc.title.alternative | Legendre-Fenchel transforms capture layering transitions in porous media | en_US |
dc.type | Peer reviewed | en_US |
dc.type | Journal article | en_US |
dc.description.version | publishedVersion | en_US |
dc.source.pagenumber | 2660-2670 | en_US |
dc.source.volume | 4 | en_US |
dc.source.journal | Nanoscale Advances | en_US |
dc.source.issue | 12 | en_US |
dc.identifier.doi | 10.1039/d1na00846c | |
dc.identifier.cristin | 2058154 | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 1 | |