Free energies calculated according to Manning's polyelectrolyte model compared with Poisson Boltzmann predictions.
The values of the different terms contributing to the free energy of a polyelectrolyte in ionic solution, calculated according to Manning's model are compared with those predicted by the Poisson-Boltzmann(P-B) equation solved for the cell model. On this ground, the limits of applicability of Manning's model and some of its features are discussed. The comparison confirms the usefulness of Manning's model for low charge density polyelectrolytes, while for higher charge densities some care should be used due to the breakdown of the approximations underlying the model.
Fogolari
F
F
Dipartimento di Scienze e Tecnologie Biomediche, Università di Udine, Italy.
Cattarinussi
S
S
Esposito
G
G
Viglino
P
P
D003198:Computer Simulation; D004573:Electrolytes / Q000737:chemistry*; D008956:Models, Chemical; D009010:Monte Carlo Method; D012016:Reference Values; D012997:Solvents / Q000737:chemistry; D013816:Thermodynamics
D004573:Electrolytes; D012997:Solvents