Lennard Jones - SPC type water model 7
-
Potential Parameters
e |
s |
q |
R |
225.97 |
3.0732 |
0.3999 |
0.9772 |
-
Tc=647.9
-
rc- 296.9
-
Saturated densities - Gibbs ensemble
T |
rLiquid |
rVapor |
psat
|
300
|
1021
|
0.0424
|
0.0524
|
350
|
969
|
0.383
|
0.587
|
400
|
908
|
1.29
|
2.90
|
450
|
854
|
5.35
|
10.6
|
500
|
788
|
14.1
|
26.9
|
550
|
722
|
34.5
|
65.3
|
- Phase Behavior
- Second Virial Coefficient
- Structure at ambient conditions (T=300 K, r=1.0 g/cm3)