Conference paper
Effective Lennard-Jones parameters for CO2-CO2 dispersion interactions in water and near amorphous silica-water interfaces
Progress in Electromagnetics Research Symposium (Prague, 06/07/2015–09/07/2015)
2015
Abstract
Different models for effective polarizability in water and the corresponding dispersion forces between dissolved molecules are explored in bulk water and near interfaces. We demonstrate that the attractive part of the Lennard-Jones parameters, i.e., the van der Waals parameter C6 (UvdW ≈ -C6/ρ6), is strongly modified when two carbon dioxide (CO2) molecules are near an amorphous silica-water and near a vapor-water interface. Standard simulation parameters for near-surface modeling are based on intermolecular forces in bulk media.
Details
- Title
- Effective Lennard-Jones parameters for CO2-CO2 dispersion interactions in water and near amorphous silica-water interfaces
- Authors/Creators
- P. Thiyam (Author/Creator)O.I. Malyi (Author/Creator)C. Persson (Author/Creator)S.Y. Buhmann (Author/Creator)D.F. Parsons (Author/Creator)M. Boström (Author/Creator)
- Conference
- Progress in Electromagnetics Research Symposium (Prague, 06/07/2015–09/07/2015)
- Identifiers
- 991005544527607891
- Murdoch Affiliation
- Murdoch University
- Language
- English
- Resource Type
- Conference paper
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