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Revised to be consistent with Amm.dat

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7663 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-04-30 15:13:17 +00:00
parent b5f48075ae
commit f542086e31
1 changed files with 20 additions and 17 deletions
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37
phreeqc.dat
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@ -76,6 +76,7 @@ Mg+2 = Mg+2
-dw 0.705e-9
-Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # supcrt modified
Na+ = Na+
-gamma 4.0 0.075
-gamma 4.08 0.082 # halite solubility
-dw 1.33e-9
-Vm 1.403 -2.285 4.419 -2.726 -5.125e-5 4.0 0.162 47.67 -3.09e-3 0.725 # supcrt modified
@ -98,6 +99,7 @@ Al+3 = Al+3
-dw 0.559e-9
-Vm -3.3404 -17.1108 14.9917 -2.0716 2.8711 9 # supcrt
Ba+2 = Ba+2
-gamma 5.0 0
-gamma 4.0 0.153 # Barite solubility
-dw 0.848e-9
-Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 # supcrt modified
@ -109,14 +111,14 @@ H4SiO4 = H4SiO4
-dw 1.10e-9
-Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1
Cl- = Cl-
-gamma 3.5 0.015
-gamma 3.63 0.017 # from pitzer.dat
-gamma 3.5 0.015
-gamma 3.63 0.017 # cf. pitzer.dat
-dw 2.03e-9
-Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # supcrt modified
CO3-2 = CO3-2
-gamma 5.4 0.0
-dw 0.955e-9
-Vm 5.224 0 0 -5.85 5.126 0 0.404 110 -5.74e-3 1 # supcrt modified
-Vm 6.95 0 0 -5.98 8.32 0 -0.115 167 -0.026 1 # supcrt modified
SO4-2 = SO4-2
-gamma 5.0 -0.04
-dw 1.07e-9
@ -200,13 +202,13 @@ CO3-2 + H+ = HCO3-
-analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9
-gamma 5.4 0.0
-dw 1.18e-9
-Vm 8.615 0 -12.21 0 1.667 0 0 264 0 1 # supcrt modified
-Vm 8.60 0 -12.0 0 1.643 0 0 167 0 1 # supcrt modified
CO3-2 + 2 H+ = CO2 + H2O
-log_k 16.681
-delta_h -5.738 kcal
-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
-dw 1.92e-9
-Vm 21.78 -49.4 -91.7 31.96 # supcrt modified
-Vm 20.85 -46.93 -79.0 27.9 -0.193 # supcrt modified
CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
-log_k 41.071
-delta_h -61.039 kcal
@ -395,16 +397,16 @@ Mg+2 + F- = MgF+
Na+ + OH- = NaOH
-log_k -10 # remove this complex
Na+ + CO3-2 = NaCO3-
-log_k 0.65
-delta_h 0.7 kcal
-log_k 1.27
-delta_h 8.91 kcal
-dw 5.85e-10
-Vm 3.411 0 15.99 -8.20 2.258 0 4.06 0 -2.21e-2 1
-gamma 5.4 0.0
-Vm 3.99 0 15.3 -8.12 3.11 0 2.7 0 0.026 1
#-gamma 5.4 0.0
Na+ + HCO3- = NaHCO3
-log_k 0.4
-delta_h -0.4 kcal
-log_k -0.25
-delta_h -1 kcal
-dw 6.73e-10
-Vm 4.64
-Vm 0.51
Na+ + SO4-2 = NaSO4-
-log_k 0.7
-delta_h 1.120 kcal
@ -933,7 +935,7 @@ Celestite
-log_k -6.63
-delta_h -4.037 kcal
# -analytic -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.0
-analytic -7.14 6.11E-03 75 0 0 -1.79E-05 # Howell et al., 1992, JCED 37, 464.
-analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464.
-Vm 46.4
Barite
BaSO4 = Ba+2 + SO4-2
@ -1069,8 +1071,9 @@ Pyrochroite
-log_k 15.2
Halite
NaCl = Cl- + Na+
log_k 1.570
-analytic -713.4616 -.1201241 37302.21 262.4583 -2106915.
log_k 1.570
-delta_h 1.37
#-analytic -713.4616 -.1201241 37302.21 262.4583 -2106915.
-Vm 27.1
Sylvite
KCl = K+ + Cl-
@ -1081,9 +1084,9 @@ CO2(g)
CO2 = CO2
-log_k -1.468
-delta_h -4.776 kcal
-analytic 119.87356 2.185434e-2 -7337.8 -44.7652 669371
-analytic 109.534 1.9913e-2 -6986.04 -40.83 669370
-T_c 304.2 # critical T, K
-P_c 72.80 # critical P, atm
-P_c 72.86 # critical P, atm
-Omega 0.225 # acentric factor
H2O(g)
H2O = H2O