[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: bernd

Hallo Mr. Parkhurst,
we have a small conversion-problem with SO4, please see output:
Database file: E:\...............\Wateq4f.Amm
Reading data base.
Reading input data for simulation 1.
Reading input data for simulation 2.
TITLE Mischung
units mg/l
temp 10.5
pH 6.3
pe 4.5
redox Fe(2)/Fe(3)
density 1.000
O(0) 0.1
Na 6.0
K 3.0
Mg 12.8
Ca 120.0
Alkalinity 31.0 as HCO3
Cl 10.0
S(6) 400.0 as SO4 charge
N(5) 0.06
N(3) 0.01
Amm 2.03 as AmmH+
P 0.1
Si 10.0
Al 0.35
Mn 0.05
Fe(2) 85.8
Fe(3) 0.001
Beginning of initial solution calculations.
Initial solution 0. Start-Parametersatz GW-Zustrom von SW zum SB Lohsa II
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.298e-005 1.298e-005
Alkalinity 5.084e-004 5.084e-004
Amm 1.069e-004 1.069e-004
Ca 2.996e-003 2.996e-003
Cl 2.823e-004 2.823e-004
Fe(2) 1.537e-003 1.537e-003
Fe(3) 1.792e-008 1.792e-008
K 7.677e-005 7.677e-005
Mg 5.268e-004 5.268e-004
Mn 9.107e-007 9.107e-007
N(3) 7.144e-007 7.144e-007
N(5) 4.287e-006 4.287e-006
Na 2.612e-004 2.612e-004
O(0) 6.254e-006 6.254e-006
P 3.231e-006 3.231e-006
S(6) 4.904e-003 4.904e-003 Charge balance
Si 1.665e-004 1.665e-004
----------------------------Description of solution----------------------------
pH = 6.300
pe = 4.500
Activity of water = 1.000
Ionic strength = 1.662e-002
Mass of water (kg) = 1.000e+000
Total carbon (mol/kg) = 1.045e-003
Total CO2 (mol/kg) = 1.045e-003
Temperature (deg C) = 10.500
Electrical balance (eq) = 5.204e-017
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 11
Total H = 1.110137e+002
Total O = 5.552913e+001
---------------------------------Redox couples---------------------------------
Redox couple pe Eh (volts)
Fe(2)/Fe(3) 2.3618 0.1329
N(3)/N(5) 9.1940 0.5174
O(-2)/O(0) 15.1069 0.8502

in wateq4f:    S(6) SO4-2 0.0 96.0616

if one compute SO4[mg/l] = 400 / 4.904e-003 = 81566
but shouldn't it be 96000 ??
I became nervously for my results from SELECTED_OUTPUT

where I had put for sulfate in mg/l: TOT("S(6)")*81360

Please, can you help me?
Bernd Ehret
University Cottbus
P.O.B. 101344
03013 Cottbus
fon:+49 (0) 355 / 69 - 4576
fax: +49 (0) 355 / 69 - 4235


Project Home Page
Complete Water Resources Division Software
USGS Home Page
Water Resources Division Home Page
NRP Home Page
Help Page
USGS Privacy Statement       

Please note that some U.S. Geological Survey (USGS) information accessed through this page may be preliminary in nature and presented prior to final review and approval by the Director of the USGS. This information is provided with the understanding that it is not guaranteed to be correct or complete and conclusions drawn from such information are the sole responsibility of the user.

Any use of trade, product, or firm names in this publication is for descriptive purposes only and does not imply endorsement by the U.S. Government. 

The URL of this page is: https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/mail/msg00051.html
Last modified: $Date: 2005-09-13 21:04:21 -0600 (Tue, 13 Sep 2005) $
Visitor number 2892 since Jan 22, 1998.