Table 3:
Numerical values and symbols used for the MSA model.
| Parameter | Definition | Value (Nonner et al) | PV model |
|---|---|---|---|
|
| |||
| Noxy | Number oxygens | 8 | 6.5 or 7 |
| ρNa,ρCl | [NaCl] | 100 mM | - |
| [KCl] | - | 150 mM | |
| [CaCl2] | 0.1 nM to 0.1 M | 0.1 nM to 0.1 M | |
| [MgCl2] | - | 1 mM | |
| ϵf | Filter dielectric | 63.5 | 25.0 |
| ϵb | Bath dielectric | 78.4 | 78.4 |
| σO | O diameter | 0.278 nm | 0.354 nm |
| zO | O charge | −0.5e0 | −0.6e0 (backbone) or −0.8e0 (sidechain) |
| σCa | Ca diameter | 0.200 nm | 0.272 nm |
| σMg | Mg diameter | 0.144 nm | 0.236 nm |
| σK | K diameter | - | 0.352 nm |
| σNa | Na diameter | 0.204 nm | - |
| σCl | Cl diameter | 0.362 nm | 0.454 nm |
| zCa | Ca charge | 2e0 | 1.77e0 |
| zMg | Mg charge | 2e0 | 1.69e0 |
| zK | K charge | - | 1e0 |
| zNa | Na charge | 1e0 | - |
| zCl | Cl charge | −1e0 | −1e0 |
| 25.6 mV | |||
| Filter Volume | 0.375 nm3 | 0.6 nm3 (LCD) or 0.455 nm3 (LEF) | |