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Viscosity #61

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May 25, 2024
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Viscosity #61

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b624e35
Tonys changes to Br in phreeqc.dat, amm.dat, and pitzer.dat. New test…
dlparkhurst May 23, 2024
0596ff7
added commented code to check e- in non-master species.
dlparkhurst May 23, 2024
ebcf6d5
bug in processing ISOTOPE_RATIOS
dlparkhurst May 23, 2024
702059e
Test case for methane, ethane, propane isotopes
dlparkhurst May 24, 2024
b0ee796
fixed Br- in phreeqc_rates.dat
dlparkhurst May 24, 2024
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9 changes: 5 additions & 4 deletions database/Amm.dat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# File 1 = C:\GitPrograms\phreeqc3-1\database\Amm.dat, 17/05/2024 14:30, 1947 lines, 55811 bytes, md5=f11f0d8a8ca35e2b27e82514f241db82
# Created 17 May 2024 14:30:37
# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "Amm.dat"
# File 1 = C:\GitPrograms\phreeqc3-1\database\Amm.dat, 22/05/2024 19:38, 1948 lines, 55817 bytes, md5=78b3659799b73ddca128328b6ee7533b
# Created 22 May 2024 19:55:37
# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts Amm.dat

# PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on:
# diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
Expand Down Expand Up @@ -176,7 +176,7 @@ Br- = Br-
-gamma 3 0
-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
-viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82
-dw 2.01e-9 139 2.94 0 1.304
-dw 2.09e-9 208 3.5 0 0.5737
Zn+2 = Zn+2
-gamma 5 0
-Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11
Expand Down Expand Up @@ -1887,6 +1887,7 @@ Pyrolusite
200 SAVE moles * SOLN_VOL
-end

END
# =============================================================================================
#(a) means amorphous. (d) means disordered, or less crystalline.
#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt),
Expand Down
8 changes: 4 additions & 4 deletions database/phreeqc.dat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# File 1 = C:\GitPrograms\phreeqc3-1\database\phreeqc.dat, 07/05/2024 14:37, 1961 lines, 56151 bytes, md5=996b3d979d94f4baeb9d27addf2b91a4
# Created 17 May 2024 14:30:43
# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "phreeqc.dat"
# File 1 = C:\GitPrograms\phreeqc3-1\database\Amm.dat, 22/05/2024 19:38, 1948 lines, 55817 bytes, md5=78b3659799b73ddca128328b6ee7533b
# Created 22 May 2024 19:55:37
# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts Amm.dat

# PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on:
# diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
Expand Down Expand Up @@ -177,7 +177,7 @@ Br- = Br-
-gamma 3 0
-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
-viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82
-dw 2.01e-9 139 2.94 0 1.304
-dw 2.09e-9 208 3.5 0 0.5737
Zn+2 = Zn+2
-gamma 5 0
-Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11
Expand Down
240 changes: 120 additions & 120 deletions database/phreeqc_rates.dat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# File 1 = C:\GitPrograms\phreeqc3-1\database\phreeqc_rates.dat, 16/05/2024 09:28, 3160 lines, 110660 bytes, md5=d5a6c0cc3a36342ad14ea953f26a23ec
# Created 17 May 2024 14:30:43
# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "phreeqc_rates.dat"
# File 1 = C:\GitPrograms\phreeqc3-1\database\phreeqc_rates.dat, 24/05/2024 01:41, 3147 lines, 110328 bytes, md5=7fc916311a573d0ad7ce880f996a9bbf
# Created 24 May 2024 01:58:45
# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts phreeqc_rates.dat

# PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Augmented with kinetic rates for minerals from compilations. Based on:
# diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
Expand Down Expand Up @@ -62,7 +62,7 @@ Oxg Oxg 0 Oxg 32 # O2 gas
Mtg Mtg 0 Mtg 16.032 # CH4 gas
Sg H2Sg 0 H2Sg 32.064 # H2S gas
Ntg Ntg 0 Ntg 28.0134 # N2 gas

SOLUTION_SPECIES
H+ = H+
-gamma 9 0
Expand Down Expand Up @@ -177,7 +177,7 @@ Br- = Br-
-gamma 3 0
-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
-viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82
-dw 2.01e-9 139 2.94 0 1.304
-dw 2.09e-9 208 3.5 0 0.5737
Zn+2 = Zn+2
-gamma 5 0
-Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11
Expand Down Expand Up @@ -1575,27 +1575,27 @@ SURFACE_SPECIES
Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69

MEAN_GAMMAS
CaCl2 Ca+2 1 Cl- 2
CaSO4 Ca+2 1 SO4-2 1
CaCO3 Ca+2 1 CO3-2 1
Ca(OH)2 Ca+2 1 OH- 2
MgCl2 Mg+2 1 Cl- 2
MgSO4 Mg+2 1 SO4-2 1
MgCO3 Mg+2 1 CO3-2 1
Mg(OH)2 Mg+2 1 OH- 2
NaCl Na+ 1 Cl- 1
Na2SO4 Na+ 2 SO4-2 1
NaHCO3 Na+ 1 HCO3- 1
Na2CO3 Na+ 2 CO3-2 1
NaOH Na+ 1 OH- 1
KCl K+ 1 Cl- 1
K2SO4 K+ 2 SO4-2 1
HCO3 K+ 1 HCO3- 1
K2CO3 K+ 2 CO3-2 1
KOH K+ 1 OH- 1
HCl H+ 1 Cl- 1
H2SO4 H+ 2 SO4-2 1
HBr H+ 1 Br- 1
CaCl2 Ca+2 1 Cl- 2
CaSO4 Ca+2 1 SO4-2 1
CaCO3 Ca+2 1 CO3-2 1
Ca(OH)2 Ca+2 1 OH- 2
MgCl2 Mg+2 1 Cl- 2
MgSO4 Mg+2 1 SO4-2 1
MgCO3 Mg+2 1 CO3-2 1
Mg(OH)2 Mg+2 1 OH- 2
NaCl Na+ 1 Cl- 1
Na2SO4 Na+ 2 SO4-2 1
NaHCO3 Na+ 1 HCO3- 1
Na2CO3 Na+ 2 CO3-2 1
NaOH Na+ 1 OH- 1
KCl K+ 1 Cl- 1
K2SO4 K+ 2 SO4-2 1
HCO3 K+ 1 HCO3- 1
K2CO3 K+ 2 CO3-2 1
KOH K+ 1 OH- 1
HCl H+ 1 Cl- 1
H2SO4 H+ 2 SO4-2 1
HBr H+ 1 Br- 1

RATES

Expand Down Expand Up @@ -2512,113 +2512,113 @@ RATE_PARAMETERS_PK
# Acid Neutral Base
# log K E n(H+) log K E log K E n(OH-)
# ================================================================
Quartz -30 0 0 -13.4 90.9 -30 0 0 # Table 4
#
SiO2(a) -30 0 0 -12.31 76 -30 0 0 # Table 6
Cristobalite -30 0 0 -12.31 65 -30 0 0
#
Albite -10.16 65 0.317 -12.56 65 -15.6 66.5 -0.471 # Table 1
Oligoclase -9.67 65 0.457 -11.84 69.8 -30 0 0 # Table 13
Andesine -8.88 53.5 0.541 -11.47 57.4 -30 0 0
Labradorite -7.87 42.1 0.626 -10.91 45.2 -30 0 0
Bytownite -5.85 29.3 1.018 -9.82 31.5 -30 0 0
Anorthite -3.5 16.6 1.411 -9.12 17.8 -30 0 0
#
K-feldspar -10.06 51.7 0.5 -12.41 38 -21.2 94.1 -0.823 # Table 14
#
Nepheline -2.73 62.9 1.13 -8.56 65.4 -10.76 37.8 -0.2 # Table 18
Leucite -6 132.2 0.7 -9.2 75.5 -10.66 56.6 -0.2
#
Forsterite -6.85 67.2 0.47 -10.64 79 -30 0 0 # Table 23
Fayalite -4.8 94.4 0 -12.8 94.4 -30 0 0
Almandine -5.2 94.4 1 -10.7 103.8 -13.71 37.8 -0.35
Grossular -5.1 85 1 -10.7 103.8 -30 0 0
Andradite -5.2 94.4 1 -10.7 103.8 -30 0 0
Kyanite -10.17 -53.9 1.268 -17.44 53.9 -30 0 0
Staurolite -6.9 18.9 1 -12.2 56.6 -14.9 47.2 -0.3
Epidote -10.6 71.1 0.338 -11.99 70.7 -17.33 79.1 -0.556
Zoisite -7.5 66.1 0.5 -11.2 66.1 -30 0 0
#
Cordierite -3.8 113.3 1 -11.2 28.3 -30 0 0 # Table 25
Tourmaline -6.5 75.5 1 -11.2 85 -30 0 0
#
augite -6.82 78 0.7 -11.97 78 -30 0 0 # Table 26
bronzite -8.3 47.2 0.65 -11.7 66.1 -30 0 0
diopside -6.36 96.1 0.71 -11.11 40.6 -30 0 0
enstatite -9.02 80 0.6 -12.72 80 -30 0 0
jadeite -6 132.2 0.7 -9.5 94.4 -30 0 0
spodumene -4.6 94.4 0.7 -9.3 66.1 -30 0 0
wollastonite -5.37 54.7 0.4 -8.88 54.7 -30 0 0
#
anthophyllite -11.94 51 0.44 -14.24 51 -30 0 0 # Table 27
glaucophane -5.6 85 0.7 -10.1 94.4 -30 0 0
hornblende -7 75.5 0.6 -10.3 94.4 -30 0 0
riebeckite -7.7 56.6 0.7 -12.2 47.2 -30 0 0
tremolite -8.4 18.9 0.7 -10.6 94.4 -30 0 0
#
biotite -9.84 22 0.525 -12.55 22 -30 0 0 # Table 28
glauconite -4.8 85 0.7 -9.1 85 -30 0 0
muscovite -11.85 22 0.37 -13.55 22 -14.55 22 -0.22
muscovite -30 0 0 -13 22 -30 0 0
paragonite -30 0 0 -13 22 -30 0 0
phlogopite -30 0 0 -12.4 29 -30 0 0
pyrophyllite -30 0 0 -12.4 29 -30 0 0
#
kaolinite -11.31 65.9 0.777 -13.18 22.2 -17.05 17.9 -0.472 # Table 29
montmorillonite -12.71 48 0.22 -14.41 48 -14.41 48 -0.13 # Montmorillonite, K0.318(Si3.975Al0.025)(Al1.509Fe0.205Mg0.283)(OH)2.
smectite -10.98 23.6 0.34 -12.78 35 -16.52 58.9 -0.4 # Smectite, K0.04Ca0.5(Al2.8Fe0.53Mg0.7)(Si7.65Al0.35)O20(OH)4.
#
lizardite -5.7 75.5 0.8 -12.4 56.6 -30 0 0 # Table 30
chrysotile -30 0 0 -12 73.5 -13.58 73.5 -0.23
chlorite(14A) -11.11 88 0.5 -12.52 88 -30 0 0
talc -30 0 0 -12 42 -30 0 0
prehnite -10.66 80.5 0.256 -13.16 93.4 -14.86 93.4 -0.2
#
goethite -30 0 0 -7.94 86.5 -30 0 0 # Table 31
hematite -9.39 66.2 1 -14.6 66.2 -30 0 0
magnetite -8.59 18.6 0.279 -10.78 18.6 -30 0 0
ilmenite -8.35 37.9 0.421 -11.16 37.9 -30 0 0
uraninite -30 0 0 -7.98 32 -30 0 0
#
brucite -4.73 59 0.5 -8.24 42 -30 0 0 # Table 32
gibbsite -7.65 47.5 0.992 -11.5 61.2 -16.65 80.1 -0.784
diaspore -30 0 0 -13.33 47.5 -23.6 47.5 -1.503
#
anglesite -5.58 31.3 0.298 -6.5 31.3 -30 0 0 # Table 34
anhydrite -30 0 0 -3.19 14.3 -30 0 0
gypsum -30 0 0 -2.79 0 -30 0 0
barite -6.9 30.8 0.22 -7.9 30.8 -30 0 0
celestite -5.66 23.8 0.109 -30 0 -30 0 0
#
hydroxyapatite -4.29 250 0.171 -6 250 -30 0 0 # Table 36
fluorapatite -3.73 250 0.613 -8 250 -30 0 0
#
halite -30 0 0 -0.21 7.4 -30 0 0 # Table 37
fluorite -7.14 73 1 -13.79 73 -30 0 0
Quartz -30 0 0 -13.4 90.9 -30 0 0 # Table 4
#
SiO2(a) -30 0 0 -12.31 76 -30 0 0 # Table 6
Cristobalite -30 0 0 -12.31 65 -30 0 0
#
Albite -10.16 65 0.317 -12.56 65 -15.6 66.5 -0.471 # Table 1
Oligoclase -9.67 65 0.457 -11.84 69.8 -30 0 0 # Table 13
Andesine -8.88 53.5 0.541 -11.47 57.4 -30 0 0
Labradorite -7.87 42.1 0.626 -10.91 45.2 -30 0 0
Bytownite -5.85 29.3 1.018 -9.82 31.5 -30 0 0
Anorthite -3.5 16.6 1.411 -9.12 17.8 -30 0 0
#
K-feldspar -10.06 51.7 0.5 -12.41 38 -21.2 94.1 -0.823 # Table 14
#
Nepheline -2.73 62.9 1.13 -8.56 65.4 -10.76 37.8 -0.2 # Table 18
Leucite -6 132.2 0.7 -9.2 75.5 -10.66 56.6 -0.2
#
Forsterite -6.85 67.2 0.47 -10.64 79 -30 0 0 # Table 23
Fayalite -4.8 94.4 0 -12.8 94.4 -30 0 0
Almandine -5.2 94.4 1 -10.7 103.8 -13.71 37.8 -0.35
Grossular -5.1 85 1 -10.7 103.8 -30 0 0
Andradite -5.2 94.4 1 -10.7 103.8 -30 0 0
Kyanite -10.17 -53.9 1.268 -17.44 53.9 -30 0 0
Staurolite -6.9 18.9 1 -12.2 56.6 -14.9 47.2 -0.3
Epidote -10.6 71.1 0.338 -11.99 70.7 -17.33 79.1 -0.556
Zoisite -7.5 66.1 0.5 -11.2 66.1 -30 0 0
#
Cordierite -3.8 113.3 1 -11.2 28.3 -30 0 0 # Table 25
Tourmaline -6.5 75.5 1 -11.2 85 -30 0 0
#
augite -6.82 78 0.7 -11.97 78 -30 0 0 # Table 26
bronzite -8.3 47.2 0.65 -11.7 66.1 -30 0 0
diopside -6.36 96.1 0.71 -11.11 40.6 -30 0 0
enstatite -9.02 80 0.6 -12.72 80 -30 0 0
jadeite -6 132.2 0.7 -9.5 94.4 -30 0 0
spodumene -4.6 94.4 0.7 -9.3 66.1 -30 0 0
wollastonite -5.37 54.7 0.4 -8.88 54.7 -30 0 0
#
anthophyllite -11.94 51 0.44 -14.24 51 -30 0 0 # Table 27
glaucophane -5.6 85 0.7 -10.1 94.4 -30 0 0
hornblende -7 75.5 0.6 -10.3 94.4 -30 0 0
riebeckite -7.7 56.6 0.7 -12.2 47.2 -30 0 0
tremolite -8.4 18.9 0.7 -10.6 94.4 -30 0 0
#
biotite -9.84 22 0.525 -12.55 22 -30 0 0 # Table 28
glauconite -4.8 85 0.7 -9.1 85 -30 0 0
muscovite -11.85 22 0.37 -13.55 22 -14.55 22 -0.22
muscovite -30 0 0 -13 22 -30 0 0
paragonite -30 0 0 -13 22 -30 0 0
phlogopite -30 0 0 -12.4 29 -30 0 0
pyrophyllite -30 0 0 -12.4 29 -30 0 0
#
kaolinite -11.31 65.9 0.777 -13.18 22.2 -17.05 17.9 -0.472 # Table 29
montmorillonite -12.71 48 0.22 -14.41 48 -14.41 48 -0.13 # Montmorillonite, K0.318(Si3.975Al0.025)(Al1.509Fe0.205Mg0.283)(OH)2.
smectite -10.98 23.6 0.34 -12.78 35 -16.52 58.9 -0.4 # Smectite, K0.04Ca0.5(Al2.8Fe0.53Mg0.7)(Si7.65Al0.35)O20(OH)4.
#
lizardite -5.7 75.5 0.8 -12.4 56.6 -30 0 0 # Table 30
chrysotile -30 0 0 -12 73.5 -13.58 73.5 -0.23
chlorite(14A) -11.11 88 0.5 -12.52 88 -30 0 0
talc -30 0 0 -12 42 -30 0 0
prehnite -10.66 80.5 0.256 -13.16 93.4 -14.86 93.4 -0.2
#
goethite -30 0 0 -7.94 86.5 -30 0 0 # Table 31
hematite -9.39 66.2 1 -14.6 66.2 -30 0 0
magnetite -8.59 18.6 0.279 -10.78 18.6 -30 0 0
ilmenite -8.35 37.9 0.421 -11.16 37.9 -30 0 0
uraninite -30 0 0 -7.98 32 -30 0 0
#
brucite -4.73 59 0.5 -8.24 42 -30 0 0 # Table 32
gibbsite -7.65 47.5 0.992 -11.5 61.2 -16.65 80.1 -0.784
diaspore -30 0 0 -13.33 47.5 -23.6 47.5 -1.503
#
anglesite -5.58 31.3 0.298 -6.5 31.3 -30 0 0 # Table 34
anhydrite -30 0 0 -3.19 14.3 -30 0 0
gypsum -30 0 0 -2.79 0 -30 0 0
barite -6.9 30.8 0.22 -7.9 30.8 -30 0 0
celestite -5.66 23.8 0.109 -30 0 -30 0 0
#
hydroxyapatite -4.29 250 0.171 -6 250 -30 0 0 # Table 36
fluorapatite -3.73 250 0.613 -8 250 -30 0 0
#
halite -30 0 0 -0.21 7.4 -30 0 0 # Table 37
fluorite -7.14 73 1 -13.79 73 -30 0 0
#
# Acid Neutral P_CO2
# log K E n(H+) log K E log K E n(P_CO2) Table
# ================================================================================
calcite -0.3 14.4 1 -5.81 23.5 -3.48 35.4 1 33 # specify Table number for P_CO2^n(P_CO2)
dawsonite -30 0 0 -7 62.8 -30 0 0 33
dolomite(d) -3.19 36.1 0.5 -7.53 52.2 -5.11 34.8 0.5 33
dolomite -3.76 56.7 0.5 -8.6 95.3 -5.37 45.7 0.5 33
magnesite -6.38 14.4 1 -9.34 23.5 -5.22 62.8 1 33
calcite -0.3 14.4 1 -5.81 23.5 -3.48 35.4 1 33 # specify Table number for P_CO2^n(P_CO2)
dawsonite -30 0 0 -7 62.8 -30 0 0 33
dolomite(d) -3.19 36.1 0.5 -7.53 52.2 -5.11 34.8 0.5 33
dolomite -3.76 56.7 0.5 -8.6 95.3 -5.37 45.7 0.5 33
magnesite -6.38 14.4 1 -9.34 23.5 -5.22 62.8 1 33
#
# Acid and Fe+3 Neutral and O2 Base
# log K E n(H+) n(Fe+3) log K E n(O2) log K E n(OH-) Table
# =========================================================================================
pyrite -7.52 56.9 -0.5 0.5 -4.55 56.9 0.5 -30 0 0 35 # specify Table number for Fe+3 and O2
pyrrhotite(Mc) -8.04 50.8 -0.597 0.355 -30 0 0 -30 0 0 35
pyrrhotite(Hx) -6.79 63 -0.09 0.356 -30 0 0 -30 0 0 35
As2S3(a) -30 0 0 0 -9.83 8.7 0.18 -17.39 8.7 -1.208 35
pyrite -7.52 56.9 -0.5 0.5 -4.55 56.9 0.5 -30 0 0 35 # specify Table number for Fe+3 and O2
pyrrhotite(Mc) -8.04 50.8 -0.597 0.355 -30 0 0 -30 0 0 35
pyrrhotite(Hx) -6.79 63 -0.09 0.356 -30 0 0 -30 0 0 35
As2S3(a) -30 0 0 0 -9.83 8.7 0.18 -17.39 8.7 -1.208 35

RATE_PARAMETERS_SVD
# Table 4: E's Table 3: H+-reaction H2O-reaction CO2-reaction Organic_acids OH--reaction Table 5
# H+ H2O CO2 Organic acids OH- pkH nH yAl CAl xBC CBC pkH2O yAl CAl xBC CBC zSi CSi pkCO2 nCO2 pkOrg nOrg COrg pkOH- wOH- yAl CAl xBC CBC zSi CSi # Num Mineral Formula
# =================================================================================================================================================================================================================================================================================================
Albite 3350 2500 1680 1200 3100 14.6 0.5 0.4 0.4 0.4 0.5 16.8 0.15 4 0.15 200 3 900 16.05 0.6 14.7 0.5 5 15.4 0.3 0.1 12 0.5 5 3 900 # 1.6 Albite NaAlSi3O8
Quartz 3890 0 2200 2000 3320 18.4 0.3 0.3 5 0 500 17.8 0 5 0 5000 4 900 18 0.5 16.3 0.5 5 14.1 0.3 0.4 200 0 5000 1 900 # 8.3 Quartz SiO2
Albite 3350 2500 1680 1200 3100 14.6 0.5 0.4 0.4 0.4 0.5 16.8 0.15 4 0.15 200 3 900 16.05 0.6 14.7 0.5 5 15.4 0.3 0.1 12 0.5 5 3 900 # 1.6 Albite NaAlSi3O8
Quartz 3890 0 2200 2000 3320 18.4 0.3 0.3 5 0 500 17.8 0 5 0 5000 4 900 18 0.5 16.3 0.5 5 14.1 0.3 0.4 200 0 5000 1 900 # 8.3 Quartz SiO2


RATE_PARAMETERS_HERMANSKA
Expand Down
9 changes: 4 additions & 5 deletions database/pitzer.dat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# File 1 = C:\GitPrograms\phreeqc3-1\database\pitzer.dat, 07/05/2024 14:37, 1032 lines, 37439 bytes, md5=8c8a391e10b8f6a9fabafe33d779565e
# Created 17 May 2024 14:30:44
# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "pitzer.dat"
# File 1 = C:\GitPrograms\phreeqc3-1\database\pitzer.dat, 22/05/2024 19:46, 1033 lines, 38088 bytes, md5=d70476773ed110a269ebbcaf334f1133
# Created 22 May 2024 19:49:25
# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts pitzer.dat

# Pitzer.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution, using
# diffusion coefficients of species, molal volumina of aqueous species and minerals, and critical temperatures and pressures of gases used in Peng-Robinson's EOS.
Expand Down Expand Up @@ -108,7 +108,7 @@ B(OH)3 = B(OH)3
Br- = Br-
-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
-viscosity -1.16e-2 -5.23e-2 5.54e-2 1.22e-2 0.119 0.9969 0.818
-dw 2.01e-9 139 2.949 0 1.321
-dw 2.09e-9 208 3.5 0 0.5737
H4SiO4 = H4SiO4
-Vm 10.5 1.7 20 -2.7 0.1291 # supcrt 2*H2O in a1
-dw 1.1e-9
Expand Down Expand Up @@ -972,7 +972,6 @@ KOH K+ 1 OH- 1
HCl H+ 1 Cl- 1
H2SO4 H+ 2 SO4-2 1
HBr H+ 1 Br- 1

END

# For the reaction aA + bB = cC + dD,
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2 changes: 2 additions & 0 deletions mytest/CMakeLists.txt
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Expand Up @@ -243,6 +243,7 @@ set(TESTS
McClesk
mean_gammas
membrane
MethEthPropIsotopes
MgCl2
mgcl2mgso4_pz
MgCl-SO4
Expand Down Expand Up @@ -279,6 +280,7 @@ set(TESTS
NaK_Mg_ClSO4
NaKCl
NaKCl_Lang
NaK_ClBr
NaMgCl
NaNH4K_ClBrSO4
NaOH_density
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