Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2010-12-08
Soft Matter, 2011, 7 2419
Physics
Condensed Matter
Soft Condensed Matter
20 pages, 8 Figures, Soft Matter in press
Scientific paper
10.1039/c0sm009954
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 levels of a simple liquid theory approximation 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.
Fantoni Riccardo
Giacometti Achille
Pastore Giorgio
Sciortino Francesco
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