New reaction sandbox example for mineral precipitation-dissolution
Hammond, Glenn E
Due to the large number of PFLOTRAN users/developers who are developing custom mineral precipitation-dissolution rate expressions in a reaction sandbox, I have created an example sandbox for Calcite precipitation-dissolution. The example contains two rate expressions. The code for the first rate expression is very similar to what is implemented in reaction_mineral.F90:RKineticMineral() (without all the prefactors, Temkin constant, etc.). And the first leverages the stoichiometries and logKs from the database. The second has all the stoichiometries and logK hardwired. Both produce identical results, just slightly different formulation.
The following pull request tracks the change: https://bitbucket.org/pflotran/pflotran/pull-requests/635
Anyone is welcome to provide feedback.
Glenn
Glenn
> …Peter
We have to go about printing the rates in a different way through the auxiliary_data array. I pushed a commit that adds the output of the calcite rates through the Sandbox. See the following
https://bitbucket.org/pflotran/pflotran/commits/01841b13380c4dca1f6326bad81d0215c0aa202d
Glenn
Peter Lichtner
On Jul 29, 2022, at 17:54, Glenn <ghamm...@gmail.com> wrote:
In response to a direct question from Peter:
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Hammond, Glenn E
Did you add AUXILIARY to the CHEMISTRY OUTPUT block?
Glenn
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Hammond, Glenn E
The “Calcite Rate” will be zero, but the “Calcite Sandbox Rate” should be non-zero for most of the cells.
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