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calculate a predominant plot using my own database
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Topic: calculate a predominant plot using my own database (Read 1870 times)
gelent
Contributor
Posts: 5
calculate a predominant plot using my own database
«
on:
June 02, 2016, 06:21:18 PM »
Hi,
May I ask questions about phreeplot?
I calculated a predominant plot based on the demo Al-pH-F. When I added my data in my input using the database "wateq4f.dat", the results seemed to be reasonable but there was "NA" in the up-right corner and H2(g)>1 atm. I don't understand how these strong things come from and I guess some data from wateq4f.dat maybe used into the calculation.
Therefore, I calculate the predominant plot using the minimal database, which dlparkhurst helped me (
http://phreeqcusers.org/index.php/topic,491.0.html
). I found that the simulation runs with no errors but the plot of mainSpecies seems to be all ''NA''.
Here is my attaches and I'm badly looking forward to any suggestion for this calculation. Thanks in advance!
«
Last Edit: June 06, 2016, 07:03:31 AM by gelent
»
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gelent
Contributor
Posts: 5
Re: calculate a predominant plot using my own database
«
Reply #1 on:
June 05, 2016, 06:43:09 AM »
I've known the reason why the "H2(g)>1 atm" appears according to p102 of the "PhreePlot Guide": " Note that the limits specified in ht.inc are for a pressure of >1 atm H2(g) on the reducing side...". and I edited this ht.inc file and blocked these lines
"200 IF(SI("H2(g)") > 0) THEN 210 ELSE 230
210 PUNCH "H2(g) > 1 atm", 10^SI("H2(g)")"
Therefore, the calculation won't consider the pe effects. Am I right?
However, I still have no idea of the species of "NA". How can I modify the input to make the plot right?
Thanks in advance!
«
Last Edit: June 05, 2016, 02:34:50 PM by gelent
»
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gelent
Contributor
Posts: 5
Re: calculate a predominant plot using my own database
«
Reply #2 on:
June 06, 2016, 07:02:28 AM »
Hi,
I have solved this problem!
The manual mentioned "This includes polygons such as H 2 (g) and the ‘not available’ or an NA field that is produced when the PHREEQC speciation fails."
Therefore, I blocked the lines of ht1.inc (200-280) to remove the H 2 (g); The NA field is considered the H2S's dissociation.
Thanks for the forum anyway!
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calculate a predominant plot using my own database