dc.contributor.author | Simon, Jean-Marc | |
dc.contributor.author | Krüger, Peter | |
dc.contributor.author | Schnell, Sondre Kvalvåg | |
dc.contributor.author | Vlugt, Thijs J.H. | |
dc.contributor.author | Kjelstrup, Signe | |
dc.contributor.author | Bedeaux, Dick | |
dc.date.accessioned | 2023-01-25T11:24:29Z | |
dc.date.available | 2023-01-25T11:24:29Z | |
dc.date.created | 2022-10-03T13:21:29Z | |
dc.date.issued | 2022 | |
dc.identifier.citation | Journal of Chemical Physics. 2022, 157 130901-?. | en_US |
dc.identifier.issn | 0021-9606 | |
dc.identifier.uri | https://hdl.handle.net/11250/3046237 | |
dc.description.abstract | The Kirkwood–Buff theory is a cornerstone of the statistical mechanics of liquids and solutions. It relates volume integrals over the radial distribution function, so-called Kirkwood–Buff integrals (KBIs), to particle number fluctuations and thereby to various macroscopic thermodynamic quantities such as the isothermal compressibility and partial molar volumes. Recently, the field has seen a strong revival with breakthroughs in the numerical computation of KBIs and applications to complex systems such as bio-molecules. One of the main emergent results is the possibility to use the finite volume KBIs as a tool to access finite volume thermodynamic quantities. The purpose of this Perspective is to shed new light on the latest developments and discuss future avenues. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | American Institute of Physics | en_US |
dc.title | Kirkwood–Buff integrals: From fluctuations in finite volumes to the thermodynamic limit | en_US |
dc.title.alternative | Kirkwood–Buff integrals: From fluctuations in finite volumes to the thermodynamic limit | en_US |
dc.type | Peer reviewed | en_US |
dc.type | Journal article | en_US |
dc.description.version | acceptedVersion | en_US |
dc.source.pagenumber | 130901-? | en_US |
dc.source.volume | 157 | en_US |
dc.source.journal | Journal of Chemical Physics | en_US |
dc.identifier.doi | 10.1063/5.0106162 | |
dc.identifier.cristin | 2057858 | |
dc.relation.project | Norges forskningsråd: 275754 | en_US |
dc.relation.project | Norges forskningsråd: 262644 | en_US |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 1 | |