Python Language Équilibrer les réactions


Exemple

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]
 redox = e1*coeff[0] + e2*coeff[1]
 print(redox)
20 OH- + 32 H+ + 4 MnO4- = 26 H2O + 4 Mn+2 + 5 O2; K1**4/K2**5
 autoprot = Equilibrium({'H2O': 1}, {'H+': 1, 'OH-': 1}, Kw)
 n = redox.cancel(autoprot)
 n
20
 redox2 = redox + n*autoprot
 print(redox2)
12 H+ + 4 MnO4- = 4 Mn+2 + 5 O2 + 6 H2O; K1**4*Kw**20/K2**5