Intermolecular forces at ice and water interfaces: premelting, surface freezing and regelation

Simple item page
dc.contributor.authorLuengo Márquez, Juan
dc.contributor.authorIzquierdo Ruiz, Fernando
dc.contributor.authorMacDowell, Luis G.
dc.date.accessioned2023-06-22T12:28:55Z
dc.date.available2023-06-22T12:28:55Z
dc.date.issued2022-08-01
dc.description.abstractUsing Lifshitz theory we assess the role of van der Waals forces at interfaces of ice and water. The results are combined with measured structural forces from computer simulations to develop a quantitative model of the surface free energy of premelting films. This input is employed within the framework of wetting theory and allows us to predict qualitatively the behavior of quasi-liquid layer thickness as a function of ambient conditions. Our results emphasize the significance of vapor pressure. The ice vapor interface is shown to exhibit only incomplete premelting, but the situation can shift to a state of complete surface melting above water saturation. The results obtained serve also to assess the role of subsurface freezing at the water-vapor interface, and we show that intermolecular forces favor subsurface ice nucleation only in conditions of water undersaturation. We show ice regelation at ambient pressure may be explained as a process of capillary freezing, without the need to invoke the action of bulk pressure melting. Our results for van der Waals forces are exploited in order to gauge dispersion interactions in empirical point charge models of water.
dc.description.departmentDepto. de Química Física
dc.description.facultyFac. de Ciencias Químicas
dc.description.refereedTRUE
dc.description.sponsorshipMinisterio de Ciencia e Innovación (MICINN)
dc.description.sponsorshipSpanish Network of Supercomputation
dc.description.sponsorshipConsejería de Educación, Juventud y Deporte de la Comunidad de Madrid and FEDER funds
dc.description.sponsorshipPrincipado de Asturias
dc.description.statuspub
dc.eprint.idhttps://eprints.ucm.es/id/eprint/75479
dc.identifier.issn1089-7690
dc.identifier.officialurlhttps://doi.org/10.1063/5.0097378
dc.identifier.urihttps://hdl.handle.net/20.500.14352/72635
dc.issue.number4
dc.journal.titleJournal of Chemical Physics
dc.language.isoeng
dc.publisherAmerican Institute of Physics
dc.relation.projectIDPID2020-115722GB-C21
dc.relation.projectIDFI-2019-3-0014
dc.relation.projectIDPEJD-2018-POST/IND-8623
dc.relation.projectIDAYUD/2021/58773
dc.rights.accessRightsopen access
dc.subject.keywordIce
dc.subject.keywordPremelting
dc.subject.keywordSurface melting
dc.subject.keywordQuasi-liquid layer
dc.subject.keywordSurface freezing
dc.subject.keywordIntermolecular Forces
dc.subject.keywordDLP Theory
dc.subject.ucmFísica atmosférica
dc.subject.ucmSuperficies (Física)
dc.subject.ucmAgua
dc.subject.ucmFísica (Química)
dc.subject.ucmOptica (Química)
dc.subject.ucmQuímica física (Química)
dc.subject.unesco2501 Ciencias de la Atmósfera
dc.subject.unesco2211.28 Superficies
dc.subject.unesco2303.31 Química del Agua
dc.titleIntermolecular forces at ice and water interfaces: premelting, surface freezing and regelation
dc.typejournal article
dc.type.hasVersionAM
dc.volume.number157
dspace.entity.typePublication
relation.isAuthorOfPublication92410d9b-f6bb-4f09-aaf7-5630e393de4f
relation.isAuthorOfPublication.latestForDiscovery92410d9b-f6bb-4f09-aaf7-5630e393de4f
Download
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
JCP_Version_de_archivo.pdf
Size:
1.28 MB
Format:
Adobe Portable Document Format
downoload Download
Collections
Artículos