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Improvments and fixes for sorption models #103

@gdmiron

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@gdmiron
  • 1. When making a new phase or phase remake the filter for phase components should be *:*:*:*: to avoid error when some components don't have the same key as the phase.

For example:

Image
  • 2. when clicking full-list selection we get error because the last component has first key "c" and not "x"

Phase remake resets the phase code
For example:
select x:CalSCM:fCalcite_CCM1s:xsa:CCM_: and remake. Phase model code "P"

Image

becomes "S"

Image
  • 3. In surface models, Adding/removing components the default values in table 3 for column MasDJ[1] and MaSDj[2] should be the charge of the species components

like this:

Image

now when adding/removing components the table will contain wrong shifted values - it should be updated upon remake with the species charges. Another workflow could be that upon phase reccalc the table is updated with default values.

MaSDj[0] default value should be 1 or the value given on page 1 MsDT[0,0]

Image
  • 4. Changing the phase model in Database and effect in input calculation

For example, single calculation CarbSorCc:G:Calc1s-Ni:0:0:1:25:0:

In Data--> detailed input recipe for phase fCalcite_CCM1s

x CalSCM fCalcite_CCM1s xsa CCM_ P N N N N N 1

We go in database mode and change the phase model code from P to D, save record

Image

We return to the project and CarbSorCc:G:Calc1s-Ni:0:0:1:25:0: the used phase code is still P N N N N N 1 and the calculation is done with the P not the D model. - Any change in the model code in the DB should be updated in the recipes.

Test project CarbSorCc.zip

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