def return_expression(b, rblock, r_idx, T):
e = None
# Get reaction orders and construct power law expression
for p, j in b.state_ref.params._phase_component_set:
o = rblock.reaction_order[p, j]
if e is None and o != 0:
e = get_concentration_term(b, r_idx)[p, j]**o
elif e is not None and o != 0:
e = e * get_concentration_term(b, r_idx)[p, j]**o
return b.k_eq[r_idx] == e
def return_expression(b, rblock, r_idx, T):
e = None
# Get reaction orders and construct power law expression
for p, j in b.phase_component_set:
o = rblock.reaction_order[p, j]
if e is None and o.value != 0:
e = get_concentration_term(b, r_idx)[p, j]**o
elif e is not None and o.value != 0:
e = e * get_concentration_term(b, r_idx)[p, j]**o
return b.k_rxn[r_idx] * e
def return_expression(b, rblock, r_idx, T):
e = None
if hasattr(b.params, "_electrolyte") and b.params._electrolyte:
pc_set = b.params.true_phase_component_set
else:
pc_set = b.phase_component_set
# Get reaction orders and construct power law expression
for p, j in pc_set:
o = rblock.reaction_order[p, j]
if e is None and o != 0:
# Need to strip units from concentration term (if applicable)
c = get_concentration_term(b, r_idx)[p, j]
u = pyunits.get_units(c)
if u is not None:
# Has units, so divide conc by units
expr = c / u
else:
# Units is None, so just use conc
expr = c
e = o * safe_log(expr, eps=rblock.eps)
elif e is not None and o != 0:
# Need to strip units from concentration term (if applicable)
c = get_concentration_term(b, r_idx)[p, j]
u = pyunits.get_units(c)
if u is not None:
# Has units, so divide conc by units
expr = c / u
else:
# Units is None, so just use conc
expr = c
e = e + o * safe_log(expr, eps=rblock.eps)
# Need to check units on k_eq as well
u = pyunits.get_units(b.k_eq[r_idx])
if u is not None:
# Has units, so divide k_eq by units
expr = b.k_eq[r_idx] / u
else:
# Units is None, so just use k_eq
expr = b.k_eq[r_idx]
return safe_log(expr, eps=rblock.eps) == e
def return_expression(b, rblock, r_idx, T):
e = None
if hasattr(b.params, "_electrolyte") and b.params._electrolyte:
pc_set = b.params.true_phase_component_set
else:
pc_set = b.phase_component_set
# Get reaction orders and construct power law expression
for p, j in pc_set:
o = rblock.reaction_order[p, j]
if e is None and o != 0:
e = get_concentration_term(b, r_idx)[p, j]**o
elif e is not None and o != 0:
e = e * get_concentration_term(b, r_idx)[p, j]**o
return b.k_eq[r_idx] == e
def return_expression(b, rblock, r_idx, T):
e = None
s = None
if hasattr(b.params, "_electrolyte") and b.params._electrolyte:
pc_set = b.params.true_phase_component_set
else:
pc_set = b.phase_component_set
# Get reaction orders and construct power law expression
for p, j in pc_set:
p_obj = b.state_ref.params.get_phase(p)
# First, build E
o = rblock.reaction_order[p, j]
if e is None and o.value != 0:
e = get_concentration_term(b, r_idx)[p, j]**o
elif e is not None and o.value != 0:
e = e * get_concentration_term(b, r_idx)[p, j]**o
if p_obj.is_solid_phase():
# If solid phase, identify S
r_config = b.params.config.equilibrium_reactions[r_idx]
try:
stoic = r_config.stoichiometry[p, j]
if s is None and stoic != 0:
s = b.state_ref.flow_mol_phase_comp[p, j]
elif s is not None and stoic != 0:
s += b.state_ref.flow_mol_phase_comp[p, j]
except KeyError:
pass
if s is None:
# Catch for not finding a solid phase
raise ConfigurationError(
"{} did not find a solid phase component for precipitation "
"reaction {}. This is likely due to the reaction "
"configuration.".format(b.name, r_idx))
Q = b.k_eq[r_idx] - e
return s - smooth_max(0, s - Q, rblock.eps) == 0
