Change search
ReferencesLink to record
Permanent link

Direct link
X-ray and simulation studies of water
Stockholm University, Faculty of Science, Department of Physics. SLAC National Accelerator Laboratory, USA.
Stockholm University, Faculty of Science, Department of Physics.
Stockholm University, Faculty of Science, Department of Physics.
Number of Authors: 3
2016 (English)In: La Rivista del nuovo cimento della Società italiana di fisica, ISSN 0393-697X, E-ISSN 1826-9850, Vol. 39, no 5, 225-278 p.Article in journal (Refereed) Published
Abstract [en]

Here we present a picture that combines discussions regarding the thermodynamic anomalies in ambient and supercooled water with recent interpretations of X-ray spectroscopy and scattering data of water. At ambient temperatures most molecules favor a closer packing than tetrahedral, with strongly distorted hydrogen bonds, which allows the quantized librational modes to be excited and contribute to the entropy, but with enthalpically favored tetrahedrally bonded water patches appearing as fluctuations, i.e. a competition between entropy and enthalpy. Upon cooling water the amount of molecules participating in tetrahedral structures and the size of the tetrahedral patches increase. The two local structures are connected to the liquid-liquid critical point hypothesis in supercooled water corresponding to high-density liquid (HDL) and low-density liquid (LDL). We demonstrate that the HDL local structure deviates from a tetrahedral coordination not only through a collapse of the 2nd shell but also through severe distortions around the 1st coordination shell.

Place, publisher, year, edition, pages
2016. Vol. 39, no 5, 225-278 p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:su:diva-136220DOI: 10.1393/ncr/i2016-10123-5ISI: 000385287600001OAI: oai:DiVA.org:su-136220DiVA: diva2:1057252
Available from: 2016-12-16 Created: 2016-12-01 Last updated: 2016-12-16Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Nilsson, AndersSchlesinger, DanielPettersson, Lars G. M.
By organisation
Department of Physics
In the same journal
La Rivista del nuovo cimento della Società italiana di fisica
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

Altmetric score

Total: 2 hits
ReferencesLink to record
Permanent link

Direct link