[no subject]

["Scott C. Brooks" <brookssc@xxxxxxxx>]

Dave,

I have a question regarding Phreeqc for Windows.  I am using v. 1.5.09 on a 
machine running Windows 2000.

I am trying to simulate a laboratory metal-chelate titration.  Solution 1 
contains Cd in NaNO3 and an NH3/NH4+ buffer at pH 10.23.  Solution 2 
contains NaH2EDTA at pH 4.08.  I save both solutions and get the 
anticipated result for each but when I mix the two solutions, the resultant 
pH is 12.8.  I anticipate a negligible drop in pH, and lab data confirm 
this.  The output indicates that the pH is used to charge balance 
regardless of any instructions I give otherwise.  I have appended and 
example of the input file.  I am using a slightly modified version of the 
llnl database to which I have added Edta and the corresponding protonation 
and complexation reactions.  The results of other simulations with the 
database suggest that the problem does not lie within the amended 
database.  Do you have any suggestions for the correct way to set this up?

Thanks in advance for your time and consideration,

====
DATABASE C:\Program Files\Phreeqc\llnl-scb.dat

TITLE Test my modified llnl.dat = llnl-scb.dat

SOLUTION 1
units mmol/kgw
pH 10.23
Na 100
N(+5) 110 charge
Cd 5.0
N(-3)	179.3
SAVE SOLUTION 1
END

SOLUTION 2
units mmol/kgw
pH 4.08
Na	200
Edta	100
SAVE SOLUTION 2
END

MIX 1
1	0.100
2	0.001

END

===================================

  Scott Brooks
  Environmental Sciences Division
  Oak Ridge National Laboratory
  P.O. Box 2008, MS 6038
  Oak Ridge, TN  37831-6038

  phone: 865-574-6398
  fax: 865-576-8646

  For FedEx and other couriers
  swap "Bethel Valley Road" for the
  P.O. Box

===================================