Van der Waals forces: Accurate calculation and assessment of approximate methods in dielectric nanocolloids up to 16 nm

Hye Young Kim, P. R.C. Kent

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Abstract

A microscopic method is used to calculate the van der Waals (VDW) forces between large nanocolloids. We assess the reliability of predictions derived from the most commonly used macroscopic method in practice, the Dzyaloshinskii-Lifshitz-Pitaevskii (DLP) theory combined with the Derjaguin approximation, by calculating the VDW interactions using the "coupled dipole method" (CDM). The CDM, which has demonstrated its ability to calculate VDW interactions for small nanoclusters, accounts for all many-body forces, and it does not assume a continuous, homogeneous dielectric function in each material. It is shown that, out of three explored, one of the routinely assumed properties ("small-separation dominance") of VDW forces predicted from the macroscopic method is generally applicable for large spherical dielectric nanoclusters of diameter 16 nm allowing much more efficient CDM calculations. The failure of two other routinely assumed properties, "infinite-depth approximation" and "sphere-cube analogy," demonstrates that the effect of finite-size and shape is important in nanocolloid systems even at the large size of 16 nm.

Original languageEnglish
Article number144705
JournalJournal of Chemical Physics
Volume131
Issue number14
DOIs
StatePublished - 2009

Funding

This research has been supported by the U.S. Department of Energy Basic Energy Science Grant No. DOE-FG02-07ER46414, Center of Nanophase Materials Sciences, Oak Ridge National Laboratory (Grant Nos. CNMS2007-075 and CNMS2009-038), and the National Energy Research Scientific Computing Center. We thank Milton Cole and Darrell Velegol for stimulating discussions.

FundersFunder number
U.S. Department of Energy Basic Energy ScienceDOE-FG02-07ER46414
Oak Ridge National LaboratoryCNMS2007-075, CNMS2009-038
National Energy Research Scientific Computing Center

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