Table 1. Input Parameters Used in Our Study.
NA | 500 | ΔHAA (kJ/mol)a | 22.86 |
NB | 250 | ΔSAA (J/(mol K))b | 113.1 |
NS | 1 | ΔHBB (kJ/mol) | 0 |
lA | 10 | ΔSBB (J/(mol K)) | 0.8314 |
lB | 15 | ΔHAB (kJ/mol) | 5.737 |
χAB(0) | 0 | ΔSAB (J/(mol K)) | 52.38–64.02 |
χAS(0) | 0.3; 0.55 | T (K) | 300 |
χBS(0) | 0.25–0.58 |
ΔHij = NAvΔhij.
ΔSij = NAvΔsij; NAv = Avogadro’s number.