Minimal concentration for PUNCH MOL

[Ivan M]

Dear all,

I'm using PUNCH MOL("O2") to get the solution concentration of oxygen in a SELECTED_OUTPUT section. I'm using

        ierr = AccumulateLine(id, "SELECTED_OUTPUT")

        ierr = AccumulateLine(id, "-reset false")

        ierr = AccumulateLine(id, "-high_precision")

        ierr = AccumulateLine(id, "USER_PUNCH  ")

        ierr = AccumulateLine(id, heading )

        ierr = AccumulateLine(id, '1  PUNCH charge_balance')

        ierr = AccumulateLine(id, '2  PUNCH -LA("H+")')

        ierr = AccumulateLine(id, '3  PUNCH TOT("O")')

        ierr = AccumulateLine(id, '4  PUNCH TOT("H")')

        ierr = AccumulateLine(id, '5  PUNCH MOL("O2")')

But after the concentration of O2 gets below around 1e-5, this SELECTED_OUTPUT reports the value as zero. That doesn't happen if the flag -molalities is used in the SELECTED_OUTPUT block.

The block from OutputAccumulatedLines is equal to

 SELECTED_OUTPUT

-reset false

-high_precision

USER_PUNCH

-Heading  CB  pH   O   H

1  PUNCH charge_balance

2  PUNCH -LA("H+")

3  PUNCH TOT("O")

4  PUNCH TOT("H")

50 PUNCH MOL("O2")

Cheers

_________________________________________

Ivan S.P. Marin, PhD

 

Postdoctoral Associate

Département de géologie et de génie géologique

Pavillon Adrien-Pouliot, local 3744

1065. ave de la Médecine

Université Laval

Québec (Québec) Canada

G1V 0A6

418-656-2131 poste 7246

 ivan.silvestre-...@ulaval.ca

[Parkhurst, David]

The molalities (MOL) should be censored at 1e-30 molal (less than
log=-30 gives zero for mol). Print both LM and MOL and if LM > -30 and
MOL = 0.0, then I will look into it.

David



David Parkhurst
Hydrologist
dlp...@usgs.gov
Profile: https://profile.usgs.gov/dlpark
Project: http://wwwbrr.cr.usgs.gov/projects/GWC_coupled

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[Ivan M]

Hello again David,

I verified again, the concentrations are being cut off around 1e-30 indeed. One of my checks had a lower concentration than this limit and was printing the wrong result. 

Cheers

_________________________________________

Ivan S.P. Marin, PhD

 

Postdoctoral Associate

Département de géologie et de génie géologique

Pavillon Adrien-Pouliot, local 3744

1065. ave de la Médecine

Université Laval

Québec (Québec) Canada

G1V 0A6

418-656-2131 poste 7246

 ivan.silvestre-...@ulaval.ca

2013/4/10 Parkhurst, David <dlp...@usgs.gov>