Welcome to pyequion’s documentation!¶
Aqueous equilibrium calculation.
PyEquIon: A Python Package For Automatic Speciation Calculations of Aqueous Electrolyte Solutions
A simplified version is provided with a web based user interface: https://caiofcm.github.io/pyequion-onl/
Usage example:
import pyequion
sol = pyequion.solve_solution({'NaHCO3': 50, 'CaCl2': 10})
pyequion.print_solution(sol)
>> Solution Results:
>> pH = 7.86640
>> sc = 6602.68061 uS/cm
>> I = 73.74077 mmol/L
>> DIC = 50.00000 mmol/L
>> Saturation Index:
>> Halite: -4.77905928064043
>> Calcite: 2.083610139715626
>> Aragonite: 1.9398402923233906
>> Vaterite: 1.5171786455013265
NOTE: The chemical electrolyte calculations should be evaluated with attention, as the thermodynamic of electrolyte solutions is not stablished, specially for high ionic strength solutions. Additionally, the models are semi-empirical relying on parameter databases, which may not be correctly adjusted for a given use case.