Search results for " SIMULATIONS"
showing 3 items of 243 documents
On the effectiveness of numerical simulation in the prediction of profile distorsion in extrusion
2005
Calcium mediated polyelectrolyte adsorption on like-charged surfaces.
2011
International audience; Monte Carlo simulations within the primitive model of calcium-mediated adsorption of linear and comb polyelectrolytes onto like-charged surfaces are described, focusing on the effect of calcium and polyion concentrations as well as on the ion pairing between polymers and calcium ions. We use a combination of Monte Carlo simulations and experimental data from titration and calcium binding to quantify the ion pairing. The polymer adsorption is shown to occur as a result of surface overcharging by Ca2+ and ion pairing between charged monomers and Ca2+. In agreement with experimental observations, the simulations predict that the polymer adsorption isotherm goes through …