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Building upon past work on the phase diagram of Janus fluids [Sciortino etal., Phys. Rev. Lett. \textbf{103}, 237801 (2009)], we perform a detailed studyof integral equation theory of the Kern-Frenkel potential with coverage that istuned from the isotropic square-well fluid to the Janus limit. An improvedalgorithm for the reference hypernetted-chain (RHNC) equation for this problemis implemented that significantly extends the range of applicability of RHNC.Results for both structure and thermodynamics are presented and compared withnumerical simulations. Unlike previous attempts, this algorithm is shown to bestable down to the Janus limit, thus paving the way for analyzing thefrustration mechanism characteristic of the gas-liquid transition in the Janussystem. The results are also compared with Barker-Henderson thermodynamicperturbation theory on the same model. We then discuss the pros and cons ofboth approaches within a unified treatment. On balance, RHNC integral equationtheory, even with an isotropic hard-sphere reference system, is found to be agood compromise between accuracy of the results, computational effort, anduniform quality to tackle self-assembly processes in patchy colloids of complexnature. Further improvement in RHNC however clearly requires an\emph{anisotropic} reference bridge function.

journal of chemical physics online/the journal of chemical physics/journal of chemical physics

From square-well to Janus: Improved algorithm for integral equation  theory and comparison with thermodynamic perturbation theory within the  Kern-Frenkel model