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Fix print of PR gases in saturation_indices.
more replacing '. Amm.dat and pitzer.dat updated to GCA paper. git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7656 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
d9d2245034
commit
b5f48075ae
29
Amm.dat
29
Amm.dat
@ -40,6 +40,7 @@ N NO3- 0.0 N 14.0067
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N(+5) NO3- 0.0 N
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N(+3) NO2- 0.0 N
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N(0) N2 0.0 N
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# N(-3) NH4+ NH4 14.0067
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Amm AmmH+ 0.0 AmmH 17.0
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B H3BO3 0.0 B 10.81
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P PO4-3 2.0 P 30.9738
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@ -117,7 +118,7 @@ Cl- = Cl-
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CO3-2 = CO3-2
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-gamma 5.4 0.0
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-dw 0.955e-9
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-Vm 5.224 0 0 -5.85 5.126 0 0.404 110 -5.74e-3 1 # supcrt modified
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-Vm 6.95 0 0 -5.98 8.32 0 -0.115 167 -0.026 1 # supcrt modified
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SO4-2 = SO4-2
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-gamma 5.0 -0.04
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-dw 1.07e-9
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@ -201,13 +202,13 @@ CO3-2 + H+ = HCO3-
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-analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9
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-gamma 5.4 0.0
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-dw 1.18e-9
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-Vm 8.615 0 -12.21 0 1.667 0 0 264 0 1 # supcrt modified
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-Vm 8.60 0 -12.0 0 1.643 0 0 167 0 1 # supcrt modified
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CO3-2 + 2 H+ = CO2 + H2O
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-log_k 16.681
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-delta_h -5.738 kcal
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-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
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-dw 1.92e-9
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-Vm 21.78 -49.4 -91.7 31.96 # supcrt modified
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-Vm 20.85 -46.93 -79.0 27.9 -0.193 # supcrt modified
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CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
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-log_k 41.071
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-delta_h -61.039 kcal
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@ -382,16 +383,15 @@ Mg+2 + F- = MgF+
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Na+ + OH- = NaOH
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-log_k -10 # remove this complex
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Na+ + CO3-2 = NaCO3-
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-log_k 0.65
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-delta_h 0.7 kcal
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-log_k 1.27
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-delta_h 8.91 kcal
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-dw 5.85e-10
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-Vm 3.411 0 15.99 -8.20 2.258 0 4.06 0 -2.21e-2 1
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-gamma 5.4 0.0
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-Vm 3.99 0 15.3 -8.12 3.11 0 2.7 0 0.026 1
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Na+ + HCO3- = NaHCO3
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-log_k 0.4
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-delta_h -0.4 kcal
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-log_k -0.25
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-delta_h -1 kcal
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-dw 6.73e-10
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-Vm 4.64
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-Vm 0.51
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Na+ + SO4-2 = NaSO4-
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-log_k 0.7
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-delta_h 1.120 kcal
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@ -1056,8 +1056,9 @@ Pyrochroite
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-log_k 15.2
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Halite
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NaCl = Cl- + Na+
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log_k 1.570
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-analytic -713.4616 -.1201241 37302.21 262.4583 -2106915.
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log_k 1.570
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-delta_h 1.37
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#-analytic -713.4616 -.1201241 37302.21 262.4583 -2106915.
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-Vm 27.1
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Sylvite
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KCl = K+ + Cl-
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@ -1068,9 +1069,9 @@ CO2(g)
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CO2 = CO2
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-log_k -1.468
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-delta_h -4.776 kcal
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-analytic 119.87356 2.185434e-2 -7337.8 -44.7652 669371
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-analytic 109.534 1.9913e-2 -6986.04 -40.83 669370
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-T_c 304.2 # critical T, K
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-P_c 72.80 # critical P, atm
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-P_c 72.86 # critical P, atm
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-Omega 0.225 # acentric factor
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H2O(g)
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H2O = H2O
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16
pitzer.dat
16
pitzer.dat
@ -99,9 +99,9 @@ H2Sg = H2Sg # H2S
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-Vm 7.81 2.96 -0.46 # supcrt
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# aqueous species
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H2O = OH- + H+
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-analytic 68.547 0 -6199.8 -24.955
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-analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
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-dw 5.27e-9
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-Vm 1.776 0.0738 1.417 -2.782 2.347 0 0.906 0 0 1 # supcrt modified
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-Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # supcrt modified
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CO3-2 + H+ = HCO3-
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log_k 10.3393
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delta_h -3.561 kcal
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@ -113,7 +113,7 @@ CO3-2 + 2 H+ = CO2 + H2O
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delta_h -5.738 kcal
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-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
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-dw 1.92e-9
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-Vm 21.78 -49.4 -91.7 31.96 # supcrt modified
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-Vm 20.85 -46.93 -79.0 27.9 -0.193 # supcrt modified
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SO4-2 + H+ = HSO4-
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log_k 1.979
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delta_h 4.91 kcal
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@ -171,8 +171,8 @@ Aragonite
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-Vm 34.04
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Arcanite
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K2SO4 = + 1.0000 SO4-- + 2.0000 K+
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log_k -1.776
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-analytic 2.823 0.0 -1371.2
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log_k -1.776; -delta_h 5 kcal # Freyer and Voigt, 2004, GCA 68, 307
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# -analytic 2.823 0.0 -1371.2
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-Vm 65.5
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Bischofite
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MgCl2:6H2O = + 1.0000 Mg++ + 2.0000 Cl- + 6.0000 H2O
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@ -317,6 +317,10 @@ Sylvite
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Syngenite
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K2Ca(SO4)2:H2O = 2K+ + Ca+2 + 2SO4-2 + H2O
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log_k -7.448
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Thenardite
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Na2SO4 = 2 Na+ + SO4-2
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-log_k -0.35
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Vm 52.9
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Trona
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Na3H(CO3)2:2H2O = 3 Na+ + H+ + 2CO3-2 + 2H2O
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log_k -11.384
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@ -347,7 +351,7 @@ CO2(g)
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CO2 = CO2
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log_k -1.468
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delta_h -4.776 kcal
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-analytic 119.87356 2.185434e-2 -7337.8 -44.7652 669371
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-analytic 109.534 1.9913e-2 -6986.04 -40.83 669370
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-T_c 304.2 # critical T, K
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-P_c 72.80 # critical P, atm
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-Omega 0.225 # acentric factor
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