Hi Brian
I have not come right with this yet and would appreciate if you can help.
To make the problem more tangible I have edited the chemplugin example: Flowthrough1.py and attached it here.
1) The thermo database does not seem to need the escape character. In the attached python script I can run the 'surface data' without any escape character:
'surface_data = "C:\Program Files\ChemPlugin\Gtdata\FeOH.sdat"',
However, if you deactivate it with # and activate the wateqdatabase (for instance), with or without the escape character it does not work:
'data = "C:\Program Files\Gwb\Gtdata\thermo_wateq4f.tdat" verify',
or
'data = "C:\\Program Files\\Gwb\\Gtdata\\thermo_wateq4f.tdat" verify',
I have tested it by changing a mineral name in the database i.e. calcite --> calcite2, however chemplugin couldn't read the database.
2) Then I also cant get the script to run. I have tried different ways but cant get it to run.
I dont know where is the problem. It is not maybe at the "….RETURN rate" part?
# "kinetic Calcite .1 volume% rate_law = script 'rate = (1.49e-02*EXP(-29000/(8.3144598*TK))*activity(\'H+\')^0.75 + 1.00e-02*EXP(-34800/(8.3144598*TK))*activity(\'H2CO3\')^0.75 + 2.20e-07*EXP(-52200/(8.3144598*TK))*activity(\'H2O\')^0.75) * surface * (1 - QoverK) RETURN rate' pre-exp = ??? act_eng = ??? surface = 200",
My problem is that my real model have temperatures up to 220 C and I need to include to higher kinetic rate in some way or other. I have come right with the sliding temperature question I had in the other post and now my model can run at different temperature scenarios. I think chemplugin works great as it surely gives you a lot of flexibility to work with.
Regards
Johan
FlowThrough_JF2.py