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Re: AW: Help concerning Phreeq




Stefan,

Finally got your input file, but it may not have been worth the effort.
Your file looks ok except some of the tabs got jumbled in the ascii
version. Each tab delimits the end of a field, so as ascii text it can look
kind of ugly when data are missing. There are two interactive programs,
PhreeqcI and Phreeqc For Windows. Sounds like you are using Phreeqc for
Windows. In PhreeqcI you can simply cut in Excel and paste into the edit
window and all the formatting should be ok. I think  that works for PFW
too.

I don't know where you got the pe's, but with the iron and manganese
concentrations, they are plausible. You are missing lots of analyses, but
that's life. You may want to add a datablock to get saturation indices,
similar to the following. It makes a table of the data that you can bring
back into Excel. There is also a USER_PUNCH data block that lets you
calculate quantities you want to go into the file.

SELECTED_OUTPUT
      -file h:\questions\z.sel
      -reset false
      -solution
      -pH
      -si calcite dolomite CO2(g)

I think you asked about plotting. I haven't used it a lot in PFW, but most
of the PHREEQC examples in PFW have the USER_GRAPH keyword added. Here's
the block from example 2. You should be able to use it as a template. You
have to write a little basic program to put out the data that you want with
the graph_x and graph_y commands.

USER_GRAPH
      -headings Temperature SI(Gypsum) SI(Anhydrite)
      -chart_title "Example 2"
      -axis_scale x_axis 25 75
      -axis_scale y_axis -0.3 0.1
      -axis_titles "TEMPERATURE IN DEGREES CELSIUS" "SATURATION INDEX"
      -initial_solutions false
      -start
      10 graph_x TC
      20 graph_y SI("Gypsum") SI("Anhydrite")
      -end


David



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




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