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Molecular Dynamics Simulations of CsCl in Water
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
2017 (English)Student paper other, 5 HE creditsStudent thesis
Abstract [en]

Salt is a common substance of which the structure has been investigated in this study. Molecular dynamics simulations has been performed of a solution of Caesium Chloride in water for four different concentrations. Radial distribution functions show a change in the structure of oxygen-oxygen with increasing concentration, especially for the second solvent shell. Contributions of the ions increases the separation between the water molecules and a long range peak of approximately 0.9 nm appears for higher concentrations. The results can be compared with experimental results performed at Swedish University of Agricultural Sciences. These distances are much longer (around 3.4 Å) and shows signs of cluster formation.

Place, publisher, year, edition, pages
2017. , p. 8
Series
FYSAST ; FYSPROJ1124
Keywords [en]
Molecular, Dynamics, Simulations, of, CsCl, in, Water, md, gromacs, calculation, salt, Large, Angle, X-ray, Scattering, LAXS
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-382908OAI: oai:DiVA.org:uu-382908DiVA, id: diva2:1313873
Subject / course
Material
Educational program
Master Programme in Physics
Presentation
2017-12-13, Seminar room on house 6, ground floor, Lägerhyddsvägen 1,752 37, Uppsala, 13:50 (English)
Supervisors
Examiners
Available from: 2019-05-08 Created: 2019-05-06 Last updated: 2019-05-08Bibliographically approved

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fulltext(3827 kB)23 downloads
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CiteExportLink to record
Permanent link

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Citation style
  • apa
  • ieee
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  • vancouver
  • Other style
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  • de-DE
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  • en-US
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  • nn-NO
  • nn-NB
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  • Other locale
More languages
Output format
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