Tutorial by Examples

from chempy import Substance ferricyanide = Substance.from_formula('Fe(CN)6-3') ferricyanide.composition == {0: -3, 26: 1, 6: 6, 7: 6} True print(ferricyanide.unicode_name) Fe(CN)₆³⁻ print(ferricyanide.latex_name + ", " + ferricyanide.html_name) Fe(CN)_{6}^{3-}, Fe(CN)<sub>6&...

from chempy import balance_stoichiometry # Main reaction in NASA's booster rockets: reac, prod = balance_stoichiometry({'NH4ClO4', 'Al'}, {'Al2O3', 'HCl', 'H2O', 'N2'}) from pprint import pprint pprint(reac) {'Al': 10, 'NH4ClO4': 6} pprint(prod) {'Al2O3': 5, 'H2O': 9, 'HCl': 6, 'N2': 3} ...

from chempy import Equilibrium from sympy import symbols K1, K2, Kw = symbols('K1 K2 Kw') e1 = Equilibrium({'MnO4-': 1, 'H+': 8, 'e-': 5}, {'Mn+2': 1, 'H2O': 4}, K1) e2 = Equilibrium({'O2': 1, 'H2O': 2, 'e-': 4}, {'OH-': 4}, K2) coeff = Equilibrium.eliminate([e1, e2], 'e-') coeff [4, -5...

from chempy import Equilibrium from chempy.chemistry import Species water_autop = Equilibrium({'H2O'}, {'H+', 'OH-'}, 10**-14) # unit "molar" assumed ammonia_prot = Equilibrium({'NH4+'}, {'NH3', 'H+'}, 10**-9.24) # same here from chempy.equilibria import EqSystem substances = ...

from chempy.electrolytes import ionic_strength ionic_strength({'Fe+3': 0.050, 'ClO4-': 0.150}) == .3 True

from chempy import ReactionSystem # The rate constants below are arbitrary rsys = ReactionSystem.from_string("""2 Fe+2 + H2O2 -> 2 Fe+3 + 2 OH-; 42 2 Fe+3 + H2O2 -> 2 Fe+2 + O2 + 2 H+; 17 H+ + OH- -> H2O; 1e10 H2O -> H+ + OH-; 1e-4 Fe+3 + 2 H2O -...