dc.contributor.author
Sedlmeier, Felix
dc.contributor.author
Netz, Roland R.
dc.date.accessioned
2018-06-08T03:42:16Z
dc.date.available
2014-03-13T07:48:44.163Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/15761
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-19948
dc.description.abstract
The temperature-dependent solvation of hydrophobic solutes in water is
investigated by largescale molecular dynamics simulations. A simultaneous fit
of solvation free energies for spheres and cylinders with radii up to R = 2 nm
yields a negative Tolman length on the order of 1 Å at room temperature,
equivalent to a spontaneous curvature that favors water droplets over
cavities. Pronounced crossover effects of the surface free energy are analyzed
in terms of higherorder curvature corrections and water-discreteness effects.
en
dc.rights.uri
http://publishing.aip.org/authors/web-posting-guidelines
dc.subject.ddc
500 Naturwissenschaften und Mathematik::530 Physik
dc.title
The spontaneous curvature of the water-hydrophobe interface
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation
The Journal of Chemical Physics. - 137 (2012), 13, Artikel Nr. 135102/1-14
dc.identifier.sepid
23113
dcterms.bibliographicCitation.doi
10.1063/1.4755753
dcterms.bibliographicCitation.url
http://dx.doi.org/10.1063/1.4755753
refubium.affiliation
Physik
de
refubium.mycore.fudocsId
FUDOCS_document_000000019872
refubium.resourceType.isindependentpub
no
refubium.mycore.derivateId
FUDOCS_derivate_000000003234
dcterms.accessRights.openaire
open access
dcterms.isPartOf.issn
00219606
