Index Name MoleF MolalityCropped Charge 0 H2O(L) 8.1992936e-01 5.5509298e+01 0.0 1 Cl- 9.0035300e-02 6.0953986e+00 -1.0 2 H+ 3.1946778e-11 2.1628000e-09 1.0 3 Na+ 9.0035320e-02 6.0954000e+00 1.0 4 OH- 2.0645465e-08 1.3977000e-06 -1.0 Species Species beta0MX beta1MX beta2MX CphiMX alphaMX thetaij Cl- H+ 0.17750 0.29450 0.00000 0.00080 2.00000 0.00000 Cl- Na+ 0.07650 0.26640 0.00000 0.00127 2.00000 0.00000 Cl- OH- 0.00000 0.00000 0.00000 0.00000 2.00000 -0.05000 H+ Na+ 0.00000 0.00000 0.00000 0.00000 2.00000 0.03600 H+ OH- 0.00000 0.00000 0.00000 0.00000 2.00000 0.00000 Na+ OH- 0.08640 0.25300 0.00000 0.00440 2.00000 0.00000 Species Species Species psi Cl- H+ Na+ -0.00400 Cl- Na+ H+ -0.00400 Cl- Na+ OH- -0.00600 Cl- OH- Na+ -0.00600 H+ Cl- Na+ -0.00400 H+ Na+ Cl- -0.00400 Na+ Cl- H+ -0.00400 Na+ Cl- OH- -0.00600 Na+ H+ Cl- -0.00400 Na+ OH- Cl- -0.00600 OH- Cl- Na+ -0.00600 OH- Na+ Cl- -0.00600 Name Activity ActCoeffMolal MoleFract Molality H2O(L) 0.7546 0.9204 0.8198 55.5093 Cl- 6.0958 0.9994 0.0901 6.0997 H+ 0.0000 4.6240 0.0000 0.0000 Na+ 6.0958 0.9994 0.0901 6.0997 OH- 0.0000 0.5437 0.0000 0.0000 Species Standard chemical potentials (kJ/gmol) ------------------------------------------------------------ H2O(L) -306.685731 Cl- -131.064702 H+ 0.0017225 Na+ -311.160186 OH- -226.879862 ------------------------------------------------------------ Some DeltaSS values: Delta(mu_0) NaCl(S): Na+ + Cl- -> NaCl(S): 9.594488 kJ/gmol : 3.870369 (dimensionless) : 1.68088 (dimensionless/ln10) G0(NaCl(S)) = -432.6304 (fixed) G0(Na+) = -311.1602 G0(Cl-) = -131.0647 OH-: H2O(L) - H+ -> OH-: 79.80759 kJ/gmol : 32.19398 (dimensionless) : 13.98167 (dimensionless/ln10) G0(OH-) = -226.8799 G0(H+) = 0.0017225 G0(H2O(L)) = -306.6857 ------------------------------------------------------------