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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.

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Molecular Dynamics Simulations of CsCl in Water

Svensson, Pamela H.W. January 2017 (has links)
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.
Molecular
Dynamics
Simulations
of
CsCl
in
Water
md
gromacs
calculation
salt
Large
Angle
X-ray
Scattering
LAXS
Condensed Matter Physics
Den kondenserade materiens fysik

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