Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 138, Issue 9, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4793626
Keywords
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Funding
- Spanish government [FIS2010-16587]
- Junta de Extremadura (Spain) [GR101583]
- FEDER funds
- Junta de Extremadura (Spain)
- PRIN-COFIN [2010LKE4CC]
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We study thermophysical properties of a Janus fluid with constrained orientations, using analytical techniques and numerical simulations. The Janus character is modeled by means of a Kern-Frenkel potential where each sphere has one hemisphere of square-well and the other of hard-sphere character. The orientational constraint is enforced by assuming that each hemisphere can only point either North or South with equal probability. The analytical approach hinges on a mapping of the above Janus fluid onto a binary mixture interacting via a quasi isotropic potential. The anisotropic nature of the original Kern-Frenkel potential is reflected by the asymmetry in the interactions occurring between the unlike components of the mixture. A rational-function approximation extending the corresponding symmetric case is obtained in the sticky limit, where the square-well becomes infinitely narrow and deep, and allows a fully analytical approach. Notwithstanding the rather drastic approximations in the analytical theory, this is shown to provide a rather precise estimate of the structural and thermodynamical properties of the original Janus fluid. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4793626]
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