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Molecular dynamics simulation of the forces between colloidal nanoparticles in -decane solvent
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10.1063/1.2776259
/content/aip/journal/jcp/127/14/10.1063/1.2776259
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/14/10.1063/1.2776259
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Snapshot of (a) the small, spherical nanoparticle, (b) the large, spherical nanoparticle, and, (c) the cubic nanoparticle.

Image of FIG. 2.
FIG. 2.

Solvation forces, given by Eq. (5), for the cubic nanoparticles as a function of the interparticle gap .

Image of FIG. 3.
FIG. 3.

(Color online) Snapshot of the two cubic nanoparticles and the -decane molecules between them for a separation of . The methyl ends are shown in red (dark), while the methylene groups are shown in green (light). Solvent molecules outside of the interparticle gap have been removed, for clarity.

Image of FIG. 4.
FIG. 4.

Sum of the solvation force, given by Eq. (5), and the van der Waals force, given by Eq. (9), as a function of the gap separation for the cubic nanoparticles assuming they are Au and -alumina. The inset shows a blowup of the graph for .

Image of FIG. 5.
FIG. 5.

Solvation forces, given by Eq. (5), as a function of the gap separation for the small spheres, large spheres, and cubes. The forces on the cubes are shown for , where they have the same magnitude as those of the spheres.

Image of FIG. 6.
FIG. 6.

(Color) Solvent density relative to the bulk liquid density obtained as an ensemble average in a thin slice of the simulation box that cuts through the centers of the nanoparticles for a gap separation of .

Image of FIG. 7.
FIG. 7.

Solvation forces for the spheres and the free energy for the cubes rescaled using the Derjaguin approximation [Eq. (10)].

Image of FIG. 8.
FIG. 8.

(Color online) Snapshot of the two small spheres and the -decane molecules between them for a separation of . The methyl ends are shown in red (dark), while the methylene groups are shown in green (light). Solvent molecules outside of the interparticle gap have been removed, for clarity.

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/content/aip/journal/jcp/127/14/10.1063/1.2776259
2007-10-12
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Molecular dynamics simulation of the forces between colloidal nanoparticles in n-decane solvent
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/14/10.1063/1.2776259
10.1063/1.2776259
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