Titrating Polyelectrolytes s Variational Calculations and Monte Carlo Simulations

@inproceedings{Jo1996TitratingPS,
  title={Titrating Polyelectrolytes s Variational Calculations and Monte Carlo Simulations},
  author={Bo Jo and Magnus Ullner and Carsten Peterson and Ola Sommelius},
  year={1996}
}
Variational methods are used to calculate structural and thermodynamical properties of a titrating polyelectrolyte in a discrete representation. In the variational treatment, the Coulomb potentials are emulated by harmonic repulsive forces between all monomers; the force constants are used as variational parameters. The accuracy of the variational approach… CONTINUE READING