Search

We investigate by Monte Carlo simulation the structure and self-assembly of a mixture formed by asymmetric dimers and larger spherical particles. In our model, dimers and spheres interact through a monomer-specific short-range attraction, in addition to hard-core repulsion. The interaction parameters are chosen so as to mimic features of real colloidal mixtures. We find that the dilute mixture at low temperature is characterized by the onset of aggregates of spheres held together by dimers. In particular, when the sphere concentration is sufficiently high, the system stays homogeneous; at intermediate concentrations, very small clusters of spheres coexist with a few lamellar aggregates; finally, for even lower concentrations a single droplet eventually forms. Upon increasing the density, a sponge-like structure emerges for not too high concentrations. If the attraction between dimers and spheres is switched off, leaving only depletion forces to act, neither phase separation nor demixing are found. [ABSTRACT FROM AUTHOR]

We apply RISM (reference interaction site model) and PRISM (polymer-RISM) theories to calculate the site–site pair structure and the osmotic equation of state of suspensions of circular or hexagonal platelets (lamellar colloids) over a range of ratios of the particle diameter over thickness D s. Despite the neglect of edge effects, the simpler PRISM theory yields results in good agreement with the more elaborate RISM calculations, provided the correct form factor, characterizing the intramolecular structure of the platelets, is used. The RISM equation of state is sensitive to the number n of sites used to model the platelets, but saturates when the hard spheres, associated with the interaction sites, nearly touch; the limiting equation of state agrees reasonably well with available simulation data for all densities up to the isotropic–nematic transition. When properly scaled with the second virial coefficient, the equations of state of platelets with different aspect ratios D s nearly collapse on a single master curve. [ABSTRACT FROM AUTHOR]

Convergent theoretical evidence, based on self-consistent integral equations for the pair structure and on Monte Carlo simulations, is presented for the existence of small simultaneous jump discontinuities of several thermodynamic and structural properties of systems of colloidal particles with competing short-range attractive and long-range repulsive interactions, under physical conditions close to the onset of particle clustering. The discontinuities thus provide a signature of the transition from a homogeneous fluid phase to a locally inhomogeneous cluster phase. [ABSTRACT FROM AUTHOR]