Clay Minerals

  • Rasmussen, Kjeld (Project Manager)
  • Teppen, Brian (Project Participant)

Project Details

Description

The far-sighted purpose of the project is to develop a model to describe interaction between surfaces of minerals and molecules of any kind in the aqueous phase surrounding the mineral.
The present ongoing research aims at modelling known crystal structures of montmorillonites and related minerals by optimising parameters of potential energy functions derived from ab initio studies.
Modelling studies include sorption of water, ions and organic compounds.
StatusFinished
Effective start/end date01/04/199331/12/2003