Initialization of a kinetic reactant

[Ivan M]

Dear all,

If I use the flag -m0 to initialize the number of moles of a kinetic reactant and use PUNCH KIN to output it to a file, the first iteration (-99 in the output file) is zero. Only after the first iteration the concentration of the kinetic reactant is different from zero. Is this the proper behavior? If so, is there a way to tell Phreeqc to set the kinetic concentration to the value at the "-99" step?

Thanks in advance.

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]

Perhaps the first line is associated  with the initial solution calculation, which does not have a kinetic reaction. Print the "state" to see whether the line is "i_soln" or "react".

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]

Hi David,

The first line, with the time -99 has i_soln, and the rest of the lines have react. 

_________________________________________

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

2013/5/17 Parkhurst, David <dlp...@usgs.gov>