Hi Björn,
I also like your chempy module. It’s really great work you have done. But I have problems with equilibrium root solver.
I made some equilibria tests varying . For validation there’s a plot of a Bjerrum diagram for water hydrolysis and CO2-hydrolysis.
But at pH ~6.5 the results are not reasonable anymore.
hydrolysis-test.zip
Are there any mistakes in my test example or the solver setup?
Is there a further documentation of the solver output?
Regarding eqsys.substances (species types in solution): is there a way to sort or arrange the Species-types? It’s only to ease the plotting (species H+ and H2O are not needed for the plot but always at different positions in this array).
Hi Björn, I also like your chempy module. It’s really great work you have done. But I have problems with equilibrium root solver.
I made some equilibria tests varying . For validation there’s a plot of a Bjerrum diagram for water hydrolysis and CO2-hydrolysis. But at pH ~6.5 the results are not reasonable anymore.
hydrolysis-test.zip
The result-plot of the CO2-hydrolysis should be similar like this : https://en.wikipedia.org/wiki/Bjerrum_plot#/media/File:Carbonate_Bjerrum.gif https://en.wikipedia.org/wiki/Bjerrum_plot
My questions: