WFRF:(Bowron D.T.)
Search: WFRF:(Bowron D.T.) > The temperature dep...
- 8 of 8
- Previous record
- Next record
- To hitlist
- Sillrén, Per,1982Chalmers tekniska högskola,Chalmers University of Technology (author)
The temperature dependent structure of liquid 1-propanol as studied by neutron diffraction and EPSR simulations
- Article/chapterEnglish2013
Publisher, publication year, extent ...
- AIP Publishing,2013
- electronicrdacarrier
Numbers
- LIBRIS-ID:oai:research.chalmers.se:81358e60-dd92-4d16-ab00-bae0f9246024
- https://research.chalmers.se/publication/180137URI
- https://doi.org/10.1063/1.4807863DOI
Supplementary language notes
- Language:English
- Summary in:English
Part of subdatabase
- SwePubSwePub
Classification
Notes
- The structure of liquid 1-propanol is investigated as a function of temperature using neutron diffrac- tion together with Empirical Potential Structure Refinement modelling. The combined diffraction and computer modelling analysis demonstrates that propanol molecules form hydrogen bonded clusters with a relatively wide size distribution, which broadens at lower temperatures. We find that the clus- ter size distribution is well described by a recently proposed statistical model for branched H-bonded networks [P. Sillrén, J. Bielecki, J. Mattsson, L. Börjesson, and A. Matic, J. Chem. Phys. 136, 094514 (2012)]. The average cluster size increases from ∼3 to 7 molecules, whilst the standard deviation of the size distribution increases from 3.3 to 8.5 as the temperature is decreased from 293 to 155 K. The clusters are slightly branched, with a higher degree of branching towards lower temperatures. An analysis of the cluster gyration tensor (Rmn) reveals an average elongated ellipsoidal shape with axes having proportions 1:1.4:1.9. We find that the average radius of gyration has a cluster size dependence consistent with that of fractal clusters, Rg ∝ n1/D , with a fractal dimension D ≈ 2.20, which is close to D = 2.00 expected for an ideal random walk or D = 2.11 expected for reaction limited aggregation. The characteristic angles between the H-bonded OH-groups that constitute the clusters show only a weak temperature dependence with O–H· · ·O angles becoming more narrowly distributed around 180◦ at lower temperatures.
Subject headings and genre
- NATURVETENSKAP Fysik hsv//swe
- NATURAL SCIENCES Physical Sciences hsv//eng
- NATURVETENSKAP Fysik Den kondenserade materiens fysik hsv//swe
- NATURAL SCIENCES Physical Sciences Condensed Matter Physics hsv//eng
- hydrogen bonding
- propanol
- Neutron Diffraction
Added entries (persons, corporate bodies, meetings, titles ...)
- Swenson, Jan,1966Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)f5xjs (author)
- Mattsson, Johan,1969University of Leeds(Swepub:cth)johanm (author)
- Bowron, D.T.STFC Rutherford Appleton Laboratory (author)
- Matic, Aleksandar,1968Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)matic (author)
- Chalmers tekniska högskolaUniversity of Leeds (creator_code:org_t)
Related titles
- In:Journal of Chemical Physics: AIP Publishing138:21, s. 214501-1089-76900021-9606
Internet link
Find in a library
- Journal of Chemical Physics (Search for host publication in LIBRIS)
To the university's database
- 8 of 8
- Previous record
- Next record
- To hitlist
Find more in SwePub
- By the author/editor
- Sillrén, Per, 19 ...
- Swenson, Jan, 19 ...
- Mattsson, Johan, ...
- Bowron, D.T.
- Matic, Aleksanda ...
- About the subject
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Physical Science ...
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Physical Science ...
- and Condensed Matter ...
- Articles in the publication
- Journal of Chemi ...
- By the university
- Chalmers University of Technology
Search outside SwePub
- Extend your search to:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - National Library Systems
- LIBRIS.kb.se
