Cl O H C P Nd Pr Ce La Dy Y Sm dummy
(HA)2(org) dodecane Nd(H(A)2)3(org) Pr(H(A)2)3(org) Ce(H(A)2)3(org) La(H(A)2)3(org) Dy(H(A)2)3(org) Sm(H(A)2)3(org) Y(H(A)2)3(org)
298.15
100000.0
(HA)2(org): 0.25
C:16 H:35 O:3 P:1
298.14999999999998
-1459500.0
558.9824
0.0
0.320974226079
C:48 H:102 O:9 P:3 Nd:1
298.14999999999998
-5178500.0
1117.965
0.0
0.973500071223
C:48 H:102 O:9 P:3 Pr:1
298.14999999999998
-1987389.753778593
1117.965
0.0
0.979936421078
C:48 H:102 O:9 P:3 Ce:1
298.14999999999998
-1979346.232242925
1117.965
0.0
1.0060487218
C:48 H:102 O:9 P:3 La:1
298.14999999999998
-1979095.7087687952
1117.965
0.0
0.981485801577
C:48 H:102 O:9 P:3 Dy:1
298.14999999999998
-1979518.3587197603
1117.965
0.0
0.961666360676
C:48 H:102 O:9 P:3 Y:1
298.14999999999998
-1997266.6892106486
1117.965
0.0
0.958888814485
C:48 H:102 O:9 P:3 Sm:1
298.14999999999998
-1976678.5252282412
1117.965
0.0
0.9642
C:48 H:102 O:9 P:3 Gd:1
298.14999999999998
-4829446.858
1117.965
0.0
0.9642
dummy:1
298.14999999999998
0.0
0.0
0.0
0.227113
H2O(L) H+ OH- Cl- Nd+++ Pr+++ Ce+++ La+++ Dy+++ Sm+++ Y+++
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.
0.5278102798121455, 0.0, 0.0, 0.0, 0.0
4.785988176310507, 0.0, 0.0, 0.0, 0.0
0.0, 0.0, 0.0, 0.0, 0.0
-0.020676879473540816, 0.0, 0.0, 0.0, 0.0
2
0
Table S1: Pitzer parameters for osmotic and activity coeff Supp Info.
May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E.
A generic and updatable Pitzer characterization of aqueous binary electrolyte
solutions at 1 bar and 25 C.
Journal of Chemical and Engineering Data 2011,56, 5066–5077.
0.5877, 0.0, 0.0, 0.0, 0.0
5.206, 0.0, 0.0, 0.0, 0.0
0.0, 0.0, 0.0, 0.0, 0.0
-0.01969, 0.0, 0.0, 0.0, 0.0
2
0
Table S1: Pitzer parameters for osmotic and activity coeff Supp Info.
May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E.
A generic and updatable Pitzer characterization of aqueous binary electrolyte
solutions at 1 bar and 25 C.
Journal of Chemical and Engineering Data 2011,56, 5066–5077.
0.5899801656939334, 0.0, 0.0, 0.0, 0.0
5.2501373713255015, 0.0, 0.0, 0.0, 0.0
0.0, 0.0, 0.0, 0.0, 0.0
-0.024346940036902652, 0.0, 0.0, 0.0, 0.0
2
0
Table S1: Pitzer parameters for osmotic and activity coeff Supp Info.
May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E.
A generic and updatable Pitzer characterization of aqueous binary electrolyte
solutions at 1 bar and 25 C.
Journal of Chemical and Engineering Data 2011,56, 5066–5077.
0.5596867100821611, 0.0, 0.0, 0.0, 0.0
10.342085390765986, 0.0, 0.0, 0.0, 0.0
0.0, 0.0, 0.0, 0.0, 0.0
-0.019685111861351003, 0.0, 0.0, 0.0, 0.0
2
0
Table S1: Pitzer parameters for osmotic and activity coeff Supp Info.
May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E.
A generic and updatable Pitzer characterization of aqueous binary electrolyte
solutions at 1 bar and 25 C.
Journal of Chemical and Engineering Data 2011,56, 5066–5077.
0.6810742399099214, 0.0, 0.0, 0.0, 0.0
5.317778808636538, 0.0, 0.0, 0.0, 0.0
0.0, 0.0, 0.0, 0.0, 0.0
-0.026217518942691358, 0.0, 0.0, 0.0, 0.0
2
0
Table S1: Pitzer parameters for osmotic and activity coeff Supp Info.
May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E.
A generic and updatable Pitzer characterization of aqueous binary electrolyte
solutions at 1 bar and 25 C.
Journal of Chemical and Engineering Data 2011,56, 5066–5077.
0.8868493033190087, 0.0, 0.0, 0.0, 0.0
9.868500461244988, 0.0, 0.0, 0.0, 0.0
0.0, 0.0, 0.0, 0.0, 0.0
-0.03051604910307843, 0.0, 0.0, 0.0, 0.0
2
0
Table S1: Pitzer parameters for osmotic and activity coeff Supp Info.
May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E.
A generic and updatable Pitzer characterization of aqueous binary electrolyte
solutions at 1 bar and 25 C.
Journal of Chemical and Engineering Data 2011,56, 5066–5077.
0.5872950937394924, 0.0, 0.0, 0.0, 0.0
6.850703030567289, 0.0, 0.0, 0.0, 0.0
0.0, 0.0, 0.0, 0.0, 0.0
-0.020035536849683018, 0.0, 0.0, 0.0, 0.0
2
0
Table S1: Pitzer parameters for osmotic and activity coeff Supp Info.
May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E.
A generic and updatable Pitzer characterization of aqueous binary electrolyte
solutions at 1 bar and 25 C.
Journal of Chemical and Engineering Data 2011,56, 5066–5077.
H2O(L)
O H Nd Pr Ce La Dy Y Sm C N Cl 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
-4.18
ref:G9
NO3-
N:1 O:3
-1
-26507
-49429
35.12
0.73161
678.24
-4.6838
-30594
7.7
-67250
109770
29.0
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
Nd+++
Nd:1
+3
-160600
-166500
-49.5
-0.33707
-1454.52
8.3211
-21777
1.6236
-118344
225500
-43.1
ref:G9
Pr+++
Pr:1
+3
-162600
-168800
-50
-0.32406
-1419.98
8.1257
-21920
-1.1975
-127511
223500
-42.1
ref:G9
Ce+++
Ce:1
+3
-161600
-167400
-49
-0.29292
-1493.38
11.6196
-21616
4.0445
-108974
222510
-39.8
ref:G9
La+++
La:1
+3
-164000
-169600
-52
-0.2788
-1438.24
10.9602
-21844
4.2394
-106122
215720
-38.6
ref:G9
Dy+++
Dy:1
+3
-158700
-166500
-55.2
-0.30003
-1510.74
11.6879
-21545
9.5076
-94919
237920
-40.7
ref:G9
Y+++
Y:1
+3
-163800
-170900
-60
-0.30140
-1514.08
11.7010
-21531
7.1634
-103067
237920
-40.8
ref:G9
Sm+++
Sm:1
+3
-159100
-165200
-50.7
-0.32065
-1561.08
11.8857
-21337
1.9385
-118548
229550
ref:G9
Gd+++
Gd:1
+3
-158600
-164200
-49.2
-0.29771
-1505.06
11.6656
-21568
6.5606
-103474
232650
ref:G9