F. Aguileragranja et R. Kikuchi, POLYMER STATISTICS .5. SIMULATION OF POLYELECTROLYTES ADSORBED ON NEGATIVE SURFACE, Physica. A, 195(1-2), 1993, pp. 53-73
We study the geometrical properties of negative-charged linear polyele
ctrolytes adsorbed on a negative surface (NONS) by using the recently
developed simulation method based on the cluster variation method (CVM
). This new method has the advantage of the analytical calculation whi
ch is based on the equilibrium conditions. At the same time, we can ge
t geometrical information that pure analytical calculations cannot giv
e. Using our simulation method, we find that short chains are preferen
tially adsorbed, and that the average length of the adsorbed chain is
smaller than the average in the solution. The NONS has long tails exte
nding into the solution and a very small area touching the surface. We
report the molecular weight (i.e. the length) dependence of the end-t
o-end distance, the distribution of those which are adsorbed, the laye
r thickness, the fractions of train, tail and loop, and the average nu
mber of tails. The results of this simulation show good qualitative ag
reement with recent experiments on the adsorption of polyelectrolytes
on negative-charged mica surfaces.