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Issue 6, 2011
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Cluster theory of Janus particles

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Abstract

We apply a simple statistical mechanics cluster approximation for studying clustering in the Kern and Frenkel model of Janus fluids. The approach is motivated by recent Monte Carlo simulations work on the same model revealing that the vapor coexisting with the liquid phase contains clusters of different sizes and shapes whose equilibrium concentrations in general depend on the interaction range as well as on thermodynamic parameters. The approximation hinges on a separation between the intra- and inter-cluster contribution to thermodynamics, where only the former is explicitly computed by Monte Carlo simulations. Two level of a simple liquid theory approximations are exploited for the description of the latter. In the first we use the ideal-gas expressions and obtain a qualitative agreement with extensive Monte Carlo bulk simulations. This can be improved to a semi-quantitative agreement, by using a hard-sphere description for the cluster-cluster correlations.

Graphical abstract: Cluster theory of Janus particles

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Publication details

The article was received on 15 Sep 2010, accepted on 02 Dec 2010 and first published on 04 Feb 2011


Article type: Paper
DOI: 10.1039/C0SM00995D
Citation: Soft Matter, 2011,7, 2419-2427
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    Cluster theory of Janus particles

    R. Fantoni, A. Giacometti, F. Sciortino and G. Pastore, Soft Matter, 2011, 7, 2419
    DOI: 10.1039/C0SM00995D

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