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retrieving mineral molar volume with PhreeqcRM
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Topic: retrieving mineral molar volume with PhreeqcRM (Read 1002 times)
oatteia
Top Contributor
Posts: 32
retrieving mineral molar volume with PhreeqcRM
«
on:
01/05/24 08:51 »
Hello,
in order to modify the medium permeability when mineral precipitation or dissolution occurs, I would like to retrieve the molar volume of each mineral phase, not in a basic call (it is during equilibrium reaction) but directly during the read of the selectedoutput, so I can multiply the molar volume by the number of moles precipitated to get the variation in volume.
thanks for you help
Olivier
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dlparkhurst
Global Moderator
Posts: 4036
Re: retrieving mineral molar volume with PhreeqcRM
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Reply #1 on:
01/05/24 19:15 »
Only phreeqc.dat, Amm.dat, and pitzer.dat have molar volume data for minerals, and you may need to fill in -vm if a mineral you need does not have that parameter defined in PHASES.
You will need to use the Basic function, for example PHASE_VM("Calcite"), in USER_PUNCH to add the value to selected output. Ideally, you can use the PhreeqcRM method GetEquilibriumPhases at the beginning of a run to get the mineral names, and then you can make a run to extract the mineral volumes.
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retrieving mineral molar volume with PhreeqcRM