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

Re: Editing PHREEQC databases (fwd)

> My apologies for bugging you about this, but I am having problems
editing the PHREEQC database and the User's Manual doesn't offer any

I think there is a lot of information in the User's Manual ;).

> Two problems that I've encountered:

> 1)  I changed the equilibrium constant for Hfo_wH2AsO3 in Wateq4f and
saved the edited version to a different file name, as a "formatted text
(space delimited)" file.  No other format seems to run.  What is the
format of the original file?  I noticed that the edited version is about
50% bigger.

The original file and all input files for PHREEQC are white-space delimited
(tabs and/or spaces) ascii text files. You appear to be running Word or
some other text processor, and I'm not sure what it is doing to the file,
but it appears not to be good. You might try WordPad instead. PhreeqcI is
an interface that lets you enter and modify phreeqc input (or database)
files, which you may want to try

> 2)  When I changed the equilibrium constant back to what it was in the
original version (for Hfo_wH2AsO3, the value is 5.41) and run the same
input file, I get a different result than when I used the original
(unedited) database?.  Any ideas as to why this is happening?!?

No, I don't know what has happened, but all that is necessary is to include
a SURFACE_SPECIES data block in your input file that redefines the one
species Hfo_wH2AsO3.

      Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O
      log_k       new_log_K_Here

You can also change the database file as you have tried, you just have to
make sure you use the new database file. In batch mode, the database file
is the third argument in invoking PHREEQC. With PhreeqcI, this is done
through Properties in the File menu.

If you really want to know what you did, you can send the input, database,
and output files that you used and I'll take a look.


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

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/msg00235.html
Last modified: $Date: 2005-09-13 21:04:21 -0600 (Tue, 13 Sep 2005) $
Visitor number 5802 since Jan 22, 1998.