Publication
Percolation transitions and fluid state boundaries
| dc.contributor.author | Woodcock, Leslie | |
| dc.date.accessioned | 2021-02-02T14:39:19Z | |
| dc.date.available | 2021-02-02T14:39:19Z | |
| dc.date.issued | 2017 | |
| dc.description.abstract | Percolation transitions define gas- and liquid-state limits of existence. For simple model fluids percolation phenomena vary fundamentally with dimensionality (d).In 3d the accessible volume (VA) and excluded volume(VE =V−VA) percolation transitions occur at different densities, whereas in 2d they coincide. The region of overlap for 3d fluids can be identified as the origin of a supercritical mesophase. This difference between 2d and 3d systems vitiates the hypothetical concept of “universality” in the description of critical phenomena. Thermodynamic states at which VA and VE , for a spher- ical molecule diameter σ, percolates the whole volume of an ideal gas, together with MD computations of percolation loci for the penetrable cohesive sphere (PCS) model of gas-liquid equilibria, show a connection between the intersection of percolation loci, and the 1st-order phase-separation transition. The results accord with previous findings for square-well and Lennard-Jones model critical and supercritical fluid equilibria. Percolation loci for real liquids, e.g. CO2 and argon, can be determined from literature thermodynamic equation-of-state data, and exhibit similar supercritical gas- and liquid-state bounds. For these real fluids the mesophase bounds extend to low density and pressures and appear to converge onto the Boyle temperature (TB ) in the low-density limit. | pt_PT |
| dc.description.version | info:eu-repo/semantics/publishedVersion | pt_PT |
| dc.identifier.doi | 10.12921/cmst.2016.0000070 | pt_PT |
| dc.identifier.uri | http://hdl.handle.net/10400.1/15013 | |
| dc.language.iso | eng | pt_PT |
| dc.peerreviewed | yes | pt_PT |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | pt_PT |
| dc.subject | Critical point | pt_PT |
| dc.subject | Gas phase | pt_PT |
| dc.subject | Liquid phase | pt_PT |
| dc.subject | Percolation | pt_PT |
| dc.subject | Phase transition | pt_PT |
| dc.title | Percolation transitions and fluid state boundaries | pt_PT |
| dc.type | journal article | |
| dspace.entity.type | Publication | |
| oaire.citation.endPage | 294 | pt_PT |
| oaire.citation.issue | 3 | pt_PT |
| oaire.citation.startPage | 281 | pt_PT |
| oaire.citation.title | Computational Methods in Science and Technology | pt_PT |
| oaire.citation.volume | 23 | pt_PT |
| person.familyName | Woodcock | |
| person.givenName | Leslie | |
| person.identifier.orcid | 0000-0003-2350-559X | |
| rcaap.rights | openAccess | pt_PT |
| rcaap.type | article | pt_PT |
| relation.isAuthorOfPublication | b550a18f-b4d3-4d68-8b8d-84f3373024aa | |
| relation.isAuthorOfPublication.latestForDiscovery | b550a18f-b4d3-4d68-8b8d-84f3373024aa |
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