Initialization of a kinetic reactant

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Ivan M

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May 17, 2013, 9:56:22 AM5/17/13
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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

Parkhurst, David

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May 17, 2013, 10:26:28 AM5/17/13
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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".

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Ivan M

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May 17, 2013, 11:18:39 AM5/17/13
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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


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