David,
I'm a bit confused about the input concentration for DO in mg/l.
If I have 4mgO2/L, should I than enter 4mg/L for O(0)?
I tried to find out, and this gave me the correct result of 1.25e-5molO2/L and 2.5e-5molO(0)/L
is this correct?
This is maybe a stupid question, but I got confused why not entering conc "as O2", but then I get 6.284e-005molO2/l as a result, which is 2mgO2/l.
best regards,
bruno
------------------------------------
Reading input data for simulation 1.
------------------------------------
DATABASE C:\Program Files\Phreeqc\Phreeqc.dat
SOLUTION 1
temp 25
pH 7.92
pe 4
redox pe
units mg/l
density 1
O(0) 4.02
Na 19.8
K 4.9
Ca 73.3
Mg 33.5
Cl 78
S(6) 95 as SO4
N(5) 55 as NO3
Alkalinity 140
water 1 # kg
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Alkalinity 2.799e-003 2.799e-003
Ca 1.830e-003 1.830e-003
Cl 2.201e-003 2.201e-003
K 1.254e-004 1.254e-004
Mg 1.379e-003 1.379e-003
N(5) 8.874e-004 8.874e-004
Na 8.617e-004 8.617e-004
O(0) 2.514e-004 2.514e-004
S(6) 9.894e-004 9.894e-004
----------------------------Description of solution----------------------------
pH = 7.920
pe = 4.000
Activity of water = 1.000
Ionic strength = 1.079e-002
Mass of water (kg) = 1.000e+000
Total carbon (mol/kg) = 2.823e-003
Total CO2 (mol/kg) = 2.823e-003
Temperature (deg C) = 25.000
Electrical balance (eq) = -4.625e-004
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -3.26
Iterations = 7
Total H = 1.110152e+002
Total O = 5.552149e+001
---------------------------------Redox couples---------------------------------
Redox couple pe Eh (volts)
O(-2)/O(0) 12.6251 0.7469
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 9.282e-007 8.325e-007 -6.032 -6.080 -0.047
H+ 1.320e-008 1.202e-008 -7.880 -7.920 -0.040
H2O 5.551e+001 9.998e-001 1.744 -0.000 0.000
C(4) 2.823e-003
HCO3- 2.656e-003 2.396e-003 -2.576 -2.621 -0.045
CO2 6.462e-005 6.478e-005 -4.190 -4.189 0.001
CaHCO3+ 3.731e-005 3.367e-005 -4.428 -4.473 -0.045
MgHCO3+ 2.590e-005 2.329e-005 -4.587 -4.633 -0.046
CaCO3 1.725e-005 1.729e-005 -4.763 -4.762 0.001
CO3-2 1.410e-005 9.346e-006 -4.851 -5.029 -0.179
MgCO3 7.389e-006 7.407e-006 -5.131 -5.130 0.001
NaHCO3 1.038e-006 1.041e-006 -5.984 -5.983 0.001
NaCO3- 1.496e-007 1.344e-007 -6.825 -6.871 -0.046
Ca 1.830e-003
Ca+2 1.663e-003 1.101e-003 -2.779 -2.958 -0.179
CaSO4 1.120e-004 1.123e-004 -3.951 -3.950 0.001
CaHCO3+ 3.731e-005 3.367e-005 -4.428 -4.473 -0.045
CaCO3 1.725e-005 1.729e-005 -4.763 -4.762 0.001
CaOH+ 1.691e-008 1.520e-008 -7.772 -7.818 -0.046
Cl 2.201e-003
Cl- 2.201e-003 1.975e-003 -2.657 -2.704 -0.047
H(0) 2.042e-027
H2 1.021e-027 1.023e-027 -26.991 -26.990 0.001
K 1.254e-004
K+ 1.249e-004 1.121e-004 -3.903 -3.950 -0.047
KSO4- 4.510e-007 4.054e-007 -6.346 -6.392 -0.046
KOH 3.224e-011 3.232e-011 -10.492 -10.491 0.001
Mg 1.379e-003
Mg+2 1.246e-003 8.306e-004 -2.905 -3.081 -0.176
MgSO4 9.923e-005 9.948e-005 -4.003 -4.002 0.001
MgHCO3+ 2.590e-005 2.329e-005 -4.587 -4.633 -0.046
MgCO3 7.389e-006 7.407e-006 -5.131 -5.130 0.001
MgOH+ 2.790e-007 2.508e-007 -6.554 -6.601 -0.046
N(5) 8.874e-004
NO3- 8.874e-004 7.946e-004 -3.052 -3.100 -0.048
Na 8.617e-004
Na+ 8.583e-004 7.725e-004 -3.066 -3.112 -0.046
NaSO4- 2.201e-006 1.978e-006 -5.657 -5.704 -0.046
NaHCO3 1.038e-006 1.041e-006 -5.984 -5.983 0.001
NaCO3- 1.496e-007 1.344e-007 -6.825 -6.871 -0.046
NaOH 4.234e-010 4.244e-010 -9.373 -9.372 0.001
O(0) 2.514e-004
O2 1.257e-004 1.260e-004 -3.901 -3.900 0.001
S(6) 9.894e-004
SO4-2 7.755e-004 5.109e-004 -3.110 -3.292 -0.181
CaSO4 1.120e-004 1.123e-004 -3.951 -3.950 0.001
MgSO4 9.923e-005 9.948e-005 -4.003 -4.002 0.001
NaSO4- 2.201e-006 1.978e-006 -5.657 -5.704 -0.046
KSO4- 4.510e-007 4.054e-007 -6.346 -6.392 -0.046
HSO4- 6.644e-010 5.972e-010 -9.178 -9.224 -0.046
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