Cl O H C P Ce dummy
(HA)2(org) dodecane Ce(H(A)2)3(org)
298.15
100000.0
(HA)2(org): 0.25
C:16 H:35 O:3 P:1
298.14999999999998
-130251.85800000011
558.9824
0.0
0.32
C:48 H:102 O:9 P:3 Ce:1
298.14999999999998
-1190252.4083322566
1117.965
0.0
0.94
dummy:1
298.14999999999998
0.0
0.0
0.0
0.227113
H2O(L) H+ OH- Cl- Ce+++
298.15
100000.0
Cl-: 1.0E-7
H+: 1.0E-7
0.177000779, 0.000125778, 0.0, -33.4777082, -0.262214535
0.292922504, -0.027938838, 0.0, 3402.47027, 19.7936248
0.0, 0.0, 0.0, 0.0, 0.0
0.000362, -0.00003036, 0.0, -2.91038E-11, 0.0
2
12
refit of Holmes, H.F., Busey, J.M., Simonson, J.M., Mesmer, R.E.,
Archer, D.G., and Wood, R.H., 1987, The enthalpy of dilution of HCl(aq)
to 648 K and 4p MPa. Thermodynamic properties, Journal of Chemical
Thermodynamics, v. 19, p. 863-890.
0.123757018, 0.0, 0.0, 0.0, 0.0
0.31055417, 0.0, 0.0, 0.0, 0.0
0.0, 0.0, 0.0, 0.0, 0.0
-0.005539018, 0.0, 0.0, 0.0, 0.0
2
12
02mar (Table 3)
Marion, G. M. (2002) "A molal-based model for strong acid chemistry at low
temperatures (less than 200 to 298 K)", Geochimica et Cosmochimica Acta, Vol. 66,
No. 14, pp. 2499-2516. These parameters are derived from the mole fraction model of
Clegg and Brimblecombe (1990) but were parameterized by Marion (2002) for the Pitzer
molality-based model.
H2O(L)
O H Ce C Fe Si N Na Cl Ca P E
H:2 O:1
7.255750050E+01, -6.624454020E-01, 2.561987460E-03, -4.365919230E-06,
2.781789810E-09, -4.188654990E+04, -2.882801370E+02
0.018068
OH-
O:1 H:1
-1
-37595
-54977
-2.56
0.12527
7.38
1.8423
-27821
4.15
-103460
172460
ref:G9
NO3-
N:1 O:3
-1
-26507
-49429
35.12
0.73161
678.24
-4.6838
-30594
7.7
-67250
109770
ref:G9
Na+
Na:1
1
-62591
-57433
13.96
0.1839
-228.5
3.256
-27260
18.18
-29810
33060
ref:G9
Cl-
Cl:1
-1
-31379
-39933
13.56
0.4032
480.1
5.563
-28470
-4.4
-57140
145600
17.79
ref:G9
H+
H:1
+1
0
0
0
0
0
0
0
0
0
0
0
ref:G9
Ce+++
Ce:1
+3
-161600
-167400
-49
-0.29292
-1493.38
11.6196
-21616
4.0445
-108974
222510
ref:G9