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We consider a lattice model of a mixture of repulsive, attractive, or neutral monodisperse star (species A) and linear (species B) polymers with a third monomeric species C, which may represent free volume. The mixture is next to a hard, infinite plate whose interactions with A and C can be attractive, repulsive, or neutral. These two interactions are the only parameters necessary to specify the effect of the surface on all three components. We numerically study monomer density profiles using the method of Gujrati and Chhajer that has already been previously applied to study polydisperse and monodisperse linear-linear blends next to surfaces. The resulting density profiles always show an enrichment of linear polymers in the immediate vicinity of the surface, due to entropic repulsion of the star core. However, the integrated surface excess of star monomers is sometimes positive, indicating an overall enrichment of stars. This excess increases with the number of star arms only up to a certain critical number and decreases thereafter. The critical arm number increases with compressibility (bulk concentration of C). The method of Gujrati and Chhajer is computationally ultrafast and can be carried out on a PC, even in the incompressible case, when simulations are unfeasible. Calculations of density profiles usually take less than 20 minutes on PCs.
We investigate the formation of a two-dimensional quasicrystal in a monodisperse system, using molecular dynamics simulations of hard sphere particles interacting via a two-dimensional square-well potential. We find that more than one stable crystall
We calculate the scattering intensity of dilute and semi-dilute solutions of star polymers. The star conformation is described by a model introduced by Daoud and Cotton. In this model, a single star is regarded as a spherical region of a semi-dilute
We investigate the existence and location of the surface phase known as the Surface-Attached Globule (SAG) conjectured previously to exist in lattice models of three-dimensional polymers when they are attached to a wall that has a short range potenti
We present the results of analytic calculations and numerical simulations of the behaviour of a new class of chain molecules which we call thick polymers. The concept of the thickness of such a polymer, viewed as a tube, is encapsulated by a special
We present a model for semiflexible polymers in Hamiltonian formulation which interpolates between a Rouse chain and worm-like chain. Both models are realized as limits for the parameters. The model parameters can also be chosen to match the experime