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Re: Free ions in mineral waters

I have given an example calculation for speciating a couple of waters and
then adjusting the pH to 7.5. The saturation indices of a couple of
minerals are written to a file. This example is adequate unless you want to
consider iron and manganese, in which case you have to make some choices on
redox. By default, during the adjustment to pH 7.5 redox species (iron,
manganese, ammonium, nitrate, etc) all come to redox equilibrium. If you
need more detail, you will have to come back for another lesson.


(See attached file: mineralwater)

David Parkhurst (dlpark@xxxxxxxx)
U.S. Geological Survey
Box 25046, MS 413
Denver Federal Center
Denver, CO 80225

                      Oberstein"               To:      <dlpark@xxxxxxxx>                                       
                      <Tobias.Oberstei         cc:                                                              
In-Reply-To: <EGECJPMPCPJFHJIBBCJMCEEFCDAA.Tobias.Oberstein@xxxxxx>
                      n@xxxxxx>                Subject: Free ions in mineral waters                             
                      08/20/01 04:27                                                                            

Dear water experts,

I've successfully compiled your PHREEQC package from source
on a OpenBSD/Intel box (though the test suite reports
some diffs : http://www.brainthat.com/check.out).

I've looked at some examples, but honestly I'm a bit lost.

What I'd like to do (in a first step) is ..

Compute free ions and complexes in mineral waters
of natural origin (that is ground waters, deployed
for human consumption).

Further, I'd like to calculate the above stuff not
only for the measured pH of the water, but for an
pH of 7.5, as this might be a realistic value for
the mileu in small intestine, where water/minerals
are absorbed.

Could you please give me a hint on what example to
use as a template e.g. ?

I'm willing to make the results available as an
online service both via HTML-Forms and remote calling
via XML-RPC / SOAP (my programming know-how is much greater
than that in geochemistry ;)


(this site is pre-public)

Further, I've got data for 165 natural mineral waters
from germany.

Thanks a lot, Greets

Tobias Oberstein

"Anyone who considers arithmetical methods of producing random digits
 is, of course, in a state of sin."   John von Neumann

Attachment: mineralwater
Description: Binary data

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