paper 150305082642

Abstract

Different models for effective polarizability in water and the corresponding dis- persion 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 pa- rameters for near-surface modeling are based on intermolecular forces in bulk media.

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Mathias Bostrom

Stefan Yoshi Buhmann

Oleksandr I. Malyi

Drew F. Parsons

Clas Persson

Priyadarshini Thiyam