Abstract
An iterative method for calculating the polar component of the solvation Gibbs energy under a smooth change in dielectric permittivity, both between a substrate and a solvent and in a solvent is formulated on the basis of a previously developed model. The method is developed in the approximation of the local relationship D = ε(r)E between the displacement vectors D and the electric field intensity E.
| Original language | English |
|---|---|
| Pages (from-to) | 1019-1022 |
| Number of pages | 4 |
| Journal | Russian Journal of Physical Chemistry B |
| Volume | 5 |
| Issue number | 6 |
| DOIs | |
| State | Published - Dec 2011 |
| Externally published | Yes |
Keywords
- Electrostatics
- Smoothed dielectric permittivity
- Solvation energy