Catalog Home Page

Effective lennard-jones parameters for CO2-CO2 dispersion interactions in water and near amorphous silica-water interfaces

Thiyam, P., Malyi, O.I., Persson, C., Buhmann, S.Y., Parsons, D.F. and Boström, M. (2015) Effective lennard-jones parameters for CO2-CO2 dispersion interactions in water and near amorphous silica-water interfaces. In: Progress in Electromagnetics Research Symposium, 5 - 9th July, Prague pp. 1289-1296.

[img]
Preview
PDF - Published Version
Download (652kB)
Free to read: http://piers.org/piersproceedings/download.php?fil...
*No subscription required

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.

Publication Type: Conference Paper
URI: http://researchrepository.murdoch.edu.au/id/eprint/29141
Item Control Page Item Control Page

Downloads

Downloads per month over past year