Table 4
Pure component parameters in the e-PPC-SAFT model. Parameters in bold are those adjusted in this work. For O2, N2, and H2, parameters are adjusted on compressibility factors. For ions, parameters are adjusted on MIAC, brine vapor pressures, and brine densities.
| Parameter | H2O [16] | O2 | N2 | H2 | Na+ | Cl− |
|---|---|---|---|---|---|---|
 (Å) |
See note | 3.884 | 3.7653 | 2.6716 | 1.9 | 3.62 |
 (–) |
1.02122 | 0.7388 | 0.9256 | 1.112 | 1 | 1 |
 (K) |
207.747 | 130.153 | 94.046 | 17.839 | 0 | 0 |
 (K) |
1813.0 | – | – | – | 1102.0 | 4111.7 |
 (–) |
0.044394 | – | – | – | 3.01 × 10 −2 | 3.77 × 10 −4 |
| μi (D) | 1.85 | – | – | – | – | – |
| xpi (–) | 0.276 | – | – | – | – | – |
| Q (B) | – | 2 | 1.8 | – | – | – |
| xQi (–) | – | 1 | 1 | – | – | – |
 (Å) |
– | – | – | – | 2.0034 | 4.639 |
 (Å) |
– | – | – | – | 3.2359 | 4.513 |
Note: the segment diameter of pure water is given by: σHS = 2.2423 + 0.51212 exp(0.001126 T) + 9904.13/T2.
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