Skip to Main content Skip to Navigation
Theses

Dynamics of water and ions in montmorillonite clays by microscopic simulation and quasi-elastic neutron scattering

Abstract : Montmorillonite clays in low hydration states, with Na+ and Cs+ compensating counterions, are investigated by a combination of microscopic simulation and quasi-elastic neutron scattering to obtain information on the local structure and dynamics of water and ions in the interlayer. At first predictions of simulation into the dynamics of water and ions at elevated temperatures are shown (0°C – 80 °C, pertinent for the radioactive waste disposal scenario). Marked difference is observed between the modes of diffusion of the Na+ and Cs+ counterions. In water dynamics, a significant step towards bulk water behaviour is seen on transition from the mono- to bilayer states. Secondly, a detailed comparison between simulation and quasi-elastic neutron scattering (Neutron Spin Echo and Time-of-Flight) regarding ambient temperature water dynamics is presented. Overall, the approaches are found to be in good agreement with each other and limitations of each of the methods are clearly shown.
Complete list of metadatas

Cited literature [146 references]  Display  Hide  Download

https://tel.archives-ouvertes.fr/tel-00226343
Contributor : Natalie Malikova <>
Submitted on : Wednesday, January 30, 2008 - 2:49:22 PM
Last modification on : Friday, December 11, 2020 - 3:54:05 PM
Long-term archiving on: : Friday, April 30, 2010 - 11:31:26 PM

Identifiers

  • HAL Id : tel-00226343, version 1

Citation

Natalie Malikova. Dynamics of water and ions in montmorillonite clays by microscopic simulation and quasi-elastic neutron scattering. Fluid Dynamics [physics.flu-dyn]. Université Pierre et Marie Curie - Paris VI, 2005. English. ⟨tel-00226343⟩

Share

Metrics

Record views

493

Files downloads

1010