Issue with variables from Alquimia in output

[smolins]

The values for some variables obtained from Alquimia for reactive problems are wrong.

To reproduce the problem use

ats-regression-tests/07_reactive_transport/column_infiltration_alquimia_calcite.xml

(Uncomment the visualization block and comment out the blacklist parameterlist.)

Correct variables

• total_component_concentrations
• free_ion_species
• mineral_rate_constant
• mineral_specific_surface_area
• mineral_volume_fractions

Incorrect variables

• mineral_reaction_rate
• mineral_saturation_index
• pH
• primary_activity_coeff
• primary_free_ion_concentration
• secondary_activity_coeff
• secondary_free_ion_concentration

One thing that is not clear is why we have free_ion_species and primary_free_ion_concentration.

Same issues with the equivalent surface-variables, of course.

[ecoon]

Any guesses of how they are wrong? Are we just not updating them from the alquimia state? I hope this is an Amanzi bug as we share the chemistry PK with Amanzi.

[ecoon]

Is this still a bug?