Retrieving phase dissolved or precipitated #43
Description
Curious if you could provide some insight on how you can retrieve the amount of moles of a phase dissolved or precipitated. I can see how to do this for individual elements or species, but it is unclear how to do this for a phase.
for example, given the code, where I have water with a pH of 1 and I add Cu metal to the solution. If I equalize to a SI =0 for all phases, how can I see how much of each phase exists in the solution?
from phreeqpython import PhreeqPython from pathlib import Path db_dir = Path('C:/Users/Craig/source/repos/eWasteSim/Database') db = Path('minteq.dat') pp = PhreeqPython(database= db, database_directory= db_dir, debug= False) # this is for simulation purposes, in the model this will be a copy of the block from the left solidsInlet = { 'CuMetal' : 10.0, 'Atacamite' : 0.0, 'Cu(OH)2' : 0.0, 'Cuprite' : 0.0, 'Melanothallite' : 0.0, 'Nantokite' : 0.0, 'Tenorite' : 0.0 } # This is for simulations purposes, in the model this will be a copy of the block from above liquidsInlet = solution = pp.add_solution({ 'units' : 'mol/kgw', 'pH' : 1, 'temp' : 50.0, 'redox' : 'pe', 'Cu' : 0, 'Cl' : '1 charge', 'O(0)' : 0 }) liquidsOulet = liquidsInlet.copy() liquidsOulet.change_temperature(60) phasesInlet = [k for k in solidsInlet.keys()] inletMoles = [v for v in solidsInlet.values()] SI_Target = [0]*len(phasesInlet) liquidsOulet.equalize(phases= phasesInlet, to_si= SI_Target, in_phase= inletMoles) This can be more complicated when more than one metal exists and the pH is changing. Can you recommend a method to obtain the moles of a given phase exist?
Thanks