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 -1376877.154483614 558.9824 0.0 0.320974226079 C:48 H:102 O:9 P:3 Nd:1 298.14999999999998 -4926549.797810851 1117.965 0.0 0.973500071223 C:48 H:102 O:9 P:3 Pr:1 298.14999999999998 -4935519.640701385 1117.965 0.0 0.979936421078 C:48 H:102 O:9 P:3 Ce:1 298.14999999999998 -4928317.781440989 1117.965 0.0 1.0060487218 C:48 H:102 O:9 P:3 La:1 298.14999999999998 -4927428.65973482 1117.965 0.0 0.981485801577 C:48 H:102 O:9 P:3 Dy:1 298.14999999999998 -4935155.356789877 1117.965 0.0 0.961666360676 C:48 H:102 O:9 P:3 Y:1 298.14999999999998 -4944228.17930387 1117.965 0.0 0.958888814485 C:48 H:102 O:9 P:3 Sm:1 298.14999999999998 -4925606.187988869 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. 0.9335616000781043, 0.0, 0.0, 0.0, 0.0 10.555396864028587, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 -0.02066999867229882, 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. 0.951206693355039, 0.0, 0.0, 0.0, 0.0 9.262520235612426, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 -0.01963615126026457, 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. 0.5362669407654791, 0.0, 0.0, 0.0, 0.0 19.878544145607385, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 -0.024339999997603376, 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. 0.6129504699810289, 0.0, 0.0, 0.0, 0.0 5.359936728131316, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 -0.019699989216349984, 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. 0.3803360903827252, 0.0, 0.0, 0.0, 0.0 0.4715334506120701, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 -0.02618999999473301, 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. 0.8864576562457522, 0.0, 0.0, 0.0, 0.0 9.87156845120858, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 -0.015467323909969704, 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. 0.6989806463779159, 0.0, 0.0, 0.0, 0.0 6.8744371885601625, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 -0.019920000110321332, 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