def react(self, molecule):
ions = molecule.to_aqueous()
if ions != None and len(ions) > 0:
print(molecule.formula, "-(Water)>", ions)
cml = Cml.Reaction([molecule.formula],ions)
reaction = Reaction.Reaction(cml,[molecule.state_formula])
return reaction
elif Config.current.DEBUG:
print("Water beaker didnt react with:", molecule.formula)
def react(self, reactants, K = 298, trace = False):
""" check if all elements needed for the reaction exists in
in the reacting elements and that the reaction is spontaneous
in the given temperature.
Return the reaction if it will occur otherwise None
"""
reactionCmls = self.find_reactions(reactants)
if len(reactionCmls) == 0 and trace:
print("No reaction found for this reactants")
elif len(reactionCmls) == 0:
return None
reactions = list()
for reactionCml in reactionCmls:
r = Reaction.Reaction(reactionCml, reactants)
reactions.append((r.energyChange(K), r))
free_energy, reaction = min(reactions)
if len(reactions) > 1 and trace:
print("Multiple possible reactions:")
for t in reactions:
r = t[1]
energy = t[0]
print("Reactants:", r.reactants,
"Products:", r.products,
"Energy:", energy)
if Reaction.isSpontaneous(free_energy):
return reaction
elif trace:
print("free_energy wasnt enough for reaction!")
reaction.trace = True
reaction.isSpontaneous(K)
return None
else:
return None
