API Reference

High-level functions

solve

Solve for equilibrium concentrations of all species in a dilute solution.

fixed_value_solve

Solve for equilibrium concentrations of all species in a dilute solution where one or more species has a fixed concentration.

volumetric_titration

Solve for equilibrium concentrations of all species in a dilute solution as titrant is added.

Parsers and utilities

parse_rxns

Parse reactions inputted as multiline strings to a stoichiometric matrix.

parse_input

Prepare input for use in low-level interface.

to_df

Convert output to a Pandas DataFrame.

water_density

Calculate the number density of pure water at atmospheric pressure in specified units.

eqcheck

Check the satisfaction of equilibrium expressions and conservation laws.

Low-level functions

solveNK

Solve for equilibrium concentrations of all species in a dilute solution.

solveNG

Solve for equilibrium concentrations of all species in a dilute solution.

solveAG

Solve for equilibrium concentrations of all species in a dilute solution.