As suggested by @cpgr in #15409, create a single boolean flag GWB_mode that causes the geochemistry module to behave in the same way as Geochemists Workbench. Simpler for users than the current method which uses a bunch of flags.
Design
If GWB_mode = true then
stoichiometry ionic strength is equal to the Cl- molality
if the temperature is equal to one of the special temperature points in the database file then no least-squares best-fit of equilibrium constants, etc, is done
if the temperature is equal to one of the special temperature points in the database file then secondary species that used to have 500.0000 in their equilibrium constants at that temperature are not included in the simulation
moles of water per kg = 55.5
ln(10) = 2.303
There are probably more things too, but having a universal flag allows us to alter the behaviour of geochemistry under-the-hood without introducing a whole bunch of extra flags for these extra things when we discover them.
cpgr
commented
4 years ago
Reason
As suggested by @cpgr in #15409, create a single boolean flag
GWB_modethat causes thegeochemistrymodule to behave in the same way as Geochemists Workbench. Simpler for users than the current method which uses a bunch of flags.Design
If
GWB_mode = truethenThere are probably more things too, but having a universal flag allows us to alter the behaviour of
geochemistryunder-the-hood without introducing a whole bunch of extra flags for these extra things when we discover them.Impact
Cleaner and clearer for users