Coarse-grained potential for interaction with a spherical colloidal particle and planar wall

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Title:Coarse-grained potential for interaction with a spherical colloidal particle and planar wall
Creators:
Předota, Milan
Nezbeda, Ivo
Pařez, Stanislav
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 75, 5, pp. 527-545
Uncontrolled Keywords:Water at graphite surface, Molecular simulations, Effective coarse-grained potential, Spherical colloidal particles, Surface interaction

Abstract

An effective coarse-grained interaction potential between a point particle and a spherical colloidal particle with continuously distributed inverse power-law interaction sites is derived. The potential covers all ranges of spherical particle size, from a point particle up to an infinitely large particle forming a planar surface. In the small size limit, the point-to-point interaction is recovered, while in the limit of an infinitely large sphere the potential comes over to the known particle–wall potentials as, e.g., the 9–3 potential in the case of the Lennard–Jones interaction. Correctness and usefulness of the derived potential is exemplified by its application to SPC/E water at a graphite sphere and wall.

Title:Coarse-grained potential for interaction with a spherical colloidal particle and planar wall
Creators:
Předota, Milan
Nezbeda, Ivo
Pařez, Stanislav
Uncontrolled Keywords:Water at graphite surface, Molecular simulations, Effective coarse-grained potential, Spherical colloidal particles, Surface interaction
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:75
Number:5
Page Range:pp. 527-545
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc2009542UNSPECIFIED
ID Code:5909
Item Type:Article
Deposited On:10 Jun 2010 11:48
Last Modified:10 Jun 2010 09:48

Citation

Předota, Milan; Nezbeda, Ivo; Pařez, Stanislav (2010) Coarse-grained potential for interaction with a spherical colloidal particle and planar wall. Collection of Czechoslovak Chemical Communications, 75 (5). pp. 527-545.

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