NDLI: Phase behavior of binary mixtures of hard convex polyhedra

Content Provider	Royal Society of Chemistry (RSC)
Author	Escobedo, Fernando A. Khadilkar, Mihir R. Agarwal, Umang
Copyright Year	2013
Abstract	Shape anisotropy of colloidal nanoparticles has emerged as an important design variable for engineering assemblies with targeted structures and properties. In particular, a number of polyhedral nanoparticles have been shown to exhibit a rich phase behavior [Agarwal et al., Nat. Mater., 2011, 10, 230]. Since real synthesized particles have polydispersity not only in size but also in shape, we explore here the phase behavior of binary mixtures of hard convex polyhedra having similar sizes but different shapes. Choosing representative particle shapes from those readily synthesizable, we study in particular four mixtures: (i) cubes and spheres (with spheres providing a non-polyhedral reference case), (ii) cubes and truncated octahedra, (iii) cubes and cuboctahedra, and (iv) cuboctahedra and truncated octahedra. The phase behavior of such mixtures is dependent on the interplay of mixing and packing entropy, which can give rise to miscible or phase-separated states. The extent of mixing of two such particle types is expected to depend on the degree of shape similarity, relative sizes, composition, and compatibility of the crystal structures formed by the pure components. While expectedly the binary systems studied exhibit phase separation at high pressures due to the incompatible pure-component crystal structures, our study shows that the essential qualitative trends in miscibility and phase separation can be correlated with properties of the pure components, such as the relative values of the order–disorder transition pressure (ODP) of each component. Specifically, if for a mixture A + B we have ODPB < ODPA and ΔODP = ODPA − ODPB, then for any particular pressure at which phase separation occurs, the larger the ΔODP the lower the solubility of A in the B-rich ordered phase and the higher the solubility of B in the A-rich ordered phase.
Starting Page	11557
Ending Page	11567
Page Count	11
File Format	HTM / HTML PDF
ISSN	1744683X
Volume Number	9
Issue Number	48
Journal	Soft Matter
DOI	10.1039/c3sm51822a
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Nat Dispersity Anisotropy Convex polytope Truncated octahedron Interplay Entertainment Miscibility Cuboctahedron Entropy Order and disorder (physics)
Content Type	Text
Resource Type	Article
Subject	Chemistry Condensed Matter Physics

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