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Tony's changes through May 16.

Browse Source 
New databases.

new example rho_CaNaCl

new source integrate, mainsubs, model, PHRQ_io_output, utilities.

New fm examples, input, intro, refs.

My changes to Basic.fm.

New manual examples ex2b and ex22.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6563 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2012-05-17 20:54:17 +00:00
parent f70e450964
commit 6655d0bc0a
3 changed files with 9 additions and 17 deletions
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6
Amm.dat
View File

@ -69,11 +69,11 @@ H2O = H2O
Ca+2 = Ca+2
-gamma 5.0 0.1650
-dw 0.793e-9
-Vm -1.13 -1.985 7.98e-3 -2.697 1.67 4.6 6.8e-2 20 # supcrt modified
-Vm 0.8 -7.25 0.51 -2.48 1.84 3.64 0.073 17.8 # supcrt modified
Mg+2 = Mg+2
-gamma 5.5 0.20
-dw 0.705e-9
-Vm 1.85 -8.6 -3.27e-3 -2.39 3.9 3.9 0.05 16 # supcrt modified
-Vm 0.083 -8.6 6.8 -2.39 2.66 4.28 0.13 13.5 # supcrt modified
Na+ = Na+
-gamma 4.0 0.075
-dw 1.33e-9
@ -760,7 +760,7 @@ Anhydrite
log_k -4.36
delta_h -1.710 kcal
# -analytic 197.52 0.0 -8669.8 -69.835
-analytic 86.5 0 -3137 -32.411 # 50 - 160oC, 1 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323.
-analytic 86.5 0 -3137 -32.411 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323.
-Vm 46.1 # 136.14 / 2.95
Celestite
SrSO4 = Sr+2 + SO4-2

7
phreeqc.dat
View File

@ -69,11 +69,11 @@ H2O = H2O
Ca+2 = Ca+2
-gamma 5.0 0.1650
-dw 0.793e-9
-Vm -1.13 -1.985 7.98e-3 -2.697 1.67 4.6 6.8e-2 20 # supcrt modified
-Vm 0.8 -7.25 0.51 -2.48 1.84 3.64 0.073 17.8 # supcrt modified
Mg+2 = Mg+2
-gamma 5.5 0.20
-dw 0.705e-9
-Vm 1.85 -8.6 -3.27e-3 -2.39 3.9 3.9 0.05 16 # supcrt modified
-Vm 0.083 -8.6 6.8 -2.39 2.66 4.28 0.13 13.5 # supcrt modified
Na+ = Na+
-gamma 4.0 0.075
-dw 1.33e-9
@ -754,8 +754,7 @@ Anhydrite
CaSO4 = Ca+2 + SO4-2
log_k -4.36
delta_h -1.710 kcal
# -analytic 197.52 0.0 -8669.8 -69.835
-analytic 86.5 0 -3137 -32.411 # 50 - 160oC, 1 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323.
-analytic 86.5 0 -3137 -32.411 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323.
-Vm 46.1 # 136.14 / 2.95
Celestite
SrSO4 = Sr+2 + SO4-2

13
pitzer.dat
View File

@ -39,19 +39,15 @@ e- = e-
H2O = H2O
Ca+2 = Ca+2
-dw 0.793e-9
-millero -19.69 0.1058 -0.001256 1.617 -0.075 0.0008262
-Vm -1.13 -1.985 7.98e-3 -2.697 1.67 4.6 6.8e-2 20 # supcrt modified
-Vm 0.8 -7.25 0.51 -2.48 1.84 3.64 0.073 17.8 # supcrt modified
Mg+2 = Mg+2
-dw 0.705e-9
-millero -22.32 0.0868 -0.0016 2.017 -0.125 0.001457
-Vm 1.85 -8.6 -3.27e-3 -2.39 3.9 3.9 0.05 16 # supcrt modified
-Vm 0.083 -8.6 6.8 -2.39 2.66 4.28 0.13 13.5 # supcrt modified
Na+ = Na+
-dw 1.33e-9
-millero -3.46 0.1092 -0.000768 2.698 -0.106 0.001651
-Vm 1.53 -2.285 4.57 -2.726 0.169 2.6 -0.28 44 # supcrt modified
K+ = K+
-dw 1.96e-9
-millero -3.46 0.1092 -0.000768 2.698 -0.106 0.001651
-Vm 3.72 -1.473 5.22 -2.712 0.471 0 -0.81 65 # supcrt modified
Fe+2 = Fe+2
-dw 0.719e-9
@ -67,7 +63,6 @@ Sr+2 = Sr+2
-Vm 0.12 -10.15 4.89 -2.36 -7.17e-2 38 0.8 37 # supcrt modified
Cl- = Cl-
-dw 2.03e-9
-millero 16.37 0.0896 -0.001264 -1.494 0.034 -0.000621
-Vm 4.03 5.9 5.27 -3.09 1.734 0 -0.3 18 # supcrt modified
CO3-2 = CO3-2
log_k 0.000
@ -80,7 +75,6 @@ SO4-2 = SO4-2
B(OH)3 = B(OH)3
log_k 0.000
-dw 1.1e-9
-millero 36.56 0.130 -0.00081 # d, e and f not reported by Millero, 2000
-Vm 7.0643 8.8547 3.5844 -3.1451 -.2000 # supcrt
Li+ = Li+
log_k 0.000
@ -89,7 +83,6 @@ Li+ = Li+
Br- = Br-
log_k 0.000
-dw 2.01e-9
-millero 22.98 0.0934 -0.000968 -1.675 0.05 -0.001105
-Vm 5.2690 6.5940 4.7450 -3.1430 1.3858 # supcrt
# redox-uncoupled gases
Hdg = Hdg # H2
@ -564,7 +557,7 @@ PITZER
CO3-2 HCO3- -0.04
B3O3(OH)4- HCO3- -0.10
B4O5(OH)4-2 HCO3- -0.087
-LAMBDA
-LAMDA
Na+ CO2 0.085
K+ CO2 0.051
Mg+2 CO2 0.183