Abstract
This work discusses the introduction of the concentration dependency of
relative permittivity in the context of activity coefficient models at
different stages of the derivation of the models. We evaluate an
experimental correlation and the Michelsen–Mollerup–Breil model for the
relative permittivity in order to assess the impact of using these
models both in the Debye–Hückel and Born equations. Our results show
that the effects of introducing the relative permittivity at different
levels in the models derivation are significant and quantitative. Using
the concentration dependency as early as before deriving the Helmholtz
free energy has the best overall performance. We derive a general method
to include any relative permittivity correlation for
concentration-dependency before the charging process to calculate the
Helmholtz free energy, with no clear advantage on using charge-dependent
or independent models.
| Original language | English |
|---|---|
| Article number | 113671 |
| Journal | Fluid Phase Equilibria |
| Volume | 566 |
| Number of pages | 16 |
| ISSN | 0378-3812 |
| DOIs | |
| Publication status | Published - 2023 |
Keywords
- Born term
- Charging process
- Debye–Hückel
- Electrolytes
- Relative permittivity