3.9 Article

COARSE-GRAINED POTENTIAL FOR INTERACTION WITH A SPHERICAL COLLOIDAL PARTICLE AND PLANAR WALL

Journal

Publisher

INST ORGANIC CHEM AND BIOCHEM
DOI: 10.1135/cccc2009542

Keywords

Spherical colloidal particles; Surface interaction; Effective coarse-grained potential; Molecular simulations; Water at graphite surface

Funding

  1. Czech Science Foundation [203/08/0094]
  2. Grant Agency of the Academy of Sciences of the Czech Republic [IAA400720802]
  3. Ministry of Education, Youth and Sports of the Czech Republic [ME09062]

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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.

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