Issue 22, 2007
From the journal:

Physical Chemistry Chemical Physics

Dumbbells and onions in ternary nucleation†

Ricky B. Nellas,a   Bin Chen*a  and  J. Ilja Siepmannb  

* Corresponding authors

a Department of Chemistry, Louisiana State University, Baton Rouge, USA
E-mail: binchen@lsu.edu

b Departments of Chemistry and of Chemical Engineering and Materials Science and Minnesota Supercomputing Institute, University of Minnesota, 207 Pleasant Street S. E., Minneapolis, USA
E-mail: siepmann@chem.umn.edu

Abstract

Molecular simulations for a ternary nucleation system (water/n-nonane/1-butanol) demonstrate a more complex nucleation mechanism than previously thought, where critical nuclei with different compositions are present even for a given vapour-phase composition; the spatial distribution in these critical nuclei is heterogeneous and dumbbell and onion motifs are found; in the former, water and nonane nano-droplets are connected through a butanol handle, while in the latter a water core is surrounded by a nonane corona with an interfacial butanol shell.

Graphical abstract: Dumbbells and onions in ternary nucleation

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Article information

DOI
https://doi.org/10.1039/B705385A
Article type
Communication
Submitted
10 Apr 2007
Accepted
20 Apr 2007
First published
03 May 2007

Phys. Chem. Chem. Phys., 2007,9, 2779-2781

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Dumbbells and onions in ternary nucleation

R. B. Nellas, B. Chen and J. Ilja Siepmann, Phys. Chem. Chem. Phys., 2007, 9, 2779 DOI: 10.1039/B705385A

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