Recently, a density functional theory for hard particles with shape anisotropy was developed, the extended deconvolution fundamental measure theory (edFMT). We apply edFMT to hard dumbbells, arguably the simplest non-convex shape and readily available experimentally in the form of colloids. We obtain good agreement between edFMT and Monte Carlo simulations for fluids of dumbbells in a slit and for the same system under gravity. This indicates that edFMT can be successfully applied to nearly all colloidal shapes, not just for the convex shapes for which edFMT was originally derived. A theory, such as edFMT, that allows a fast and general way of mapping the phase behavior of anisotropic colloids, can act as a useful guide for the design of colloidal shapes for various applications.
Inhomogeneous fluids of colloidal hard dumbbells: Fundamental measure theory and Monte Carlo simulations
Matthieu Marechal, Hanns Hagen Goetzke, Andreas Härtel, Hartmut Löwen; Inhomogeneous fluids of colloidal hard dumbbells: Fundamental measure theory and Monte Carlo simulations. J. Chem. Phys. 21 December 2011; 135 (23): 234510. https://doi.org/10.1063/1.3664742
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