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A cylindrical nanopore immersed in a non-additive hard sphere binary fluid is studied by means of integral equation theories and Monte Carlo simulations. It is found that at low and intermediate values of the bulk total number density the more concentrated bulk species is preferentially absorbed by the pore, as expected. However, further increments of the bulk number density lead to an abrupt population inversion in the confined fluid and an entropy driven prewetting transition at the outside wall of the pore. These phenomena are a function of the pore size, the non-additivity parameter, the bulk number density, and particles relative number fraction. We discuss our results in relation to the phase separation in the bulk.
Population annealing is a sequential Monte Carlo scheme well-suited to simulating equilibrium states of systems with rough free energy landscapes. Here we use population annealing to study a binary mixture of hard spheres. Population annealing is a p
We have used Langevin dynamics to simulate the forced translocation of linked polymer rings through a narrow pore. For fixed size (i.e. fixed number of monomers) the translocation time depends on the link type and on whether the rings are knotted or
We simulate the motion of spherical particles in a phase-separating binary mixture. By combining cell dynamical equations with Langevin dynamics for particles, we show that the addition of hard particles significantly changes both the speed and the m
DNA nanoparticles with three-fold coordination have been observed to self-assemble in experiment into a network equivalent to the hexagonal (6.6.6) tiling, and a network equivalent to the 4.8.8 Archimedean tiling. Both networks are built from a singl
Single-file transport in pore-like structures constitute an important topic for both theory and experiment. For hardcore interacting particles, a good understanding of the collective dynamics has been achieved recently. Here we study how softness in