화학공학소재연구정보센터
Journal of Chemical Physics, Vol.115, No.15, 7309-7318, 2001
Monte Carlo simulation of polymer brushes in narrow pores
We present the model of a cylindrical pore with chains tethered by one end to its inner surface. The conformational and "quasistatic" (under low and medium shear rates) hydrodynamic properties of the system are studied. Since it was shown by other researchers that the density profile of the polymer layer is only slightly affected by flow in the region of low and medium shear rates, we do not take flow into account when calculating chain conformations. The conformational properties of the concave layer are very similar to those of the flat one. They are characterized by the layer thickness h. The hydrodynamic properties are characterized by the hydrodynamic thickness L-h. We show that L-h depends strongly on the chain surface density sigma under conditions of the "mushroom" regime in contrast to h. Finally, we predict that the net permeability of the cylinder could decrease with the increasing temperature. It enables us, principally, to control the pore permeability with temperature.