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Molecular structure of alcohol-water mixtures
Advanced Light Source, Lawrence Berkeley National Laboratory.
KTH, Superseded Departments, Biotechnology.ORCID iD: 0000-0003-0007-0394
Uppsala Universitet.
KTH, Superseded Departments, Biotechnology.
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2003 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 91, no 15Article in journal (Refereed) Published
Abstract [en]

We use x-ray emission spectroscopy to elucidate the molecular structure of liquid methanol, water, and methanol-water solutions. We find that molecules in the pure liquid methanol predominantly persist as hydrogen-bonded chains and rings with six and/or eight molecules of equal abundance. For water-methanol solutions we find evidence of incomplete mixing at the microscopic level. Our results provide a new explanation for a smaller entropy increase in the solution due to water molecules bridging methanol chains to form rings.

Place, publisher, year, edition, pages
2003. Vol. 91, no 15
Keyword [en]
liquid methanol, diffraction, simulation, clusters, neutron
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-22880DOI: 10.1103/PhysRevLett.91.157401ISI: 000185862500043OAI: oai:DiVA.org:kth-22880DiVA: diva2:341578
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved
In thesis
1. Theoretical modeling of X-ray spectroscopy of liquids
Open this publication in new window or tab >>Theoretical modeling of X-ray spectroscopy of liquids
2005 (English)Doctoral thesis, comprehensive summary (Other scientific)
Place, publisher, year, edition, pages
Stockholm: KTH, 2005. viii, 47 p.
Keyword
Theoretical chemistry, Teoretisk kemi
National Category
Theoretical Chemistry
Identifiers
urn:nbn:se:kth:diva-187 (URN)91-7178-021-1 (ISBN)
Public defence
2005-05-13, FA32, AlbaNova, 13:00
Opponent
Supervisors
Note
QC 20101101Available from: 2005-05-10 Created: 2005-05-10 Last updated: 2011-11-23Bibliographically approved

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Luo, YiÅgren, Hans

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