抄録
Monte Carlo Brownian Dynamics simulations have been used to calculate structures of a polyelectrolyte brush grafted onto planes. The polymers were calculated in a semi-flexible coarse-grain model that is appropriate to treat the charge of the polyion. The effect of linear charge density on the polyion was studied. In salt-free solution, scaling theories predicted the structure well in the low region. In the high region, additional shrinkage was found from the theories due to counterion condensation. The other properties such as added salt effect, effect of surface charges and improvement of the molecular simulation will be presented.
