def build_parameters(rblock, config):
parent = rblock.parent_block()
units = parent.get_metadata().derived_units
rbasis = parent.config.reaction_basis
if rbasis == MaterialFlowBasis.molar:
r_base = units["amount"]
elif rbasis == MaterialFlowBasis.mass:
r_base = units["mass"]
else:
raise BurntToast(
"{} for unexpected reaction basis {}. This should not happen "
"so please contact the IDAES developers with this bug.".format(
rblock.name, rbasis))
c_form = config.concentration_form
if c_form is None:
raise ConfigurationError(
"{} concentration_form configuration argument was not set. "
"Please ensure that this argument is included in your "
"configuration dict.".format(rblock.name))
elif (c_form == ConcentrationForm.moleFraction
or c_form == ConcentrationForm.massFraction):
r_units = r_base * units["volume"]**-1 * units["time"]**-1
else:
order = 0
for p, j in parent.config.property_package._phase_component_set:
order += -rblock.reaction_order[p, j].value
if (c_form == ConcentrationForm.molarity
or c_form == ConcentrationForm.activity):
c_units = units["density_mole"]
elif c_form == ConcentrationForm.molality:
c_units = units["amount"] * units["mass"]**-1
elif c_form == ConcentrationForm.partialPressure:
c_units = units["pressure"]
else:
raise BurntToast(
"{} get_concentration_term received unrecognised "
"ConcentrationForm ({}). This should not happen - please "
"contact the IDAES developers with this bug.".format(
rblock.name, c_form))
r_units = (r_base * units["length"]**-3 * units["time"]**-1 *
c_units**order)
rblock.arrhenius_const = Var(
doc="Arrhenius constant (pre-exponential factor)", units=r_units)
set_param_value(rblock,
param="arrhenius_const",
units=r_units,
config=config)
rblock.energy_activation = Var(doc="Activation energy",
units=units["energy_mole"])
set_param_value(rblock,
param="energy_activation",
units=units["energy_mole"],
config=config)
def build_parameters(cobj):
if not hasattr(cobj, "cp_mol_ig_comp_coeff_A"):
cp_mol_ig_comp.build_parameters(cobj)
units = cobj.parent_block().get_metadata().derived_units
cobj.entr_mol_form_vap_comp_ref = Var(
doc="Vapor phase molar entropy of formation @ Tref",
units=units["entropy_mole"])
set_param_value(cobj,
param="entr_mol_form_vap_comp_ref",
units=units["entropy_mole"])
def build_parameters(cobj):
if not hasattr(cobj, "cp_mol_liq_comp_coeff_1"):
cp_mol_liq_comp.build_parameters(cobj)
units = cobj.parent_block().get_metadata().derived_units
cobj.enth_mol_form_liq_comp_ref = Var(
doc="Liquid phase molar heat of formation @ Tref",
units=units["energy_mole"])
set_param_value(cobj,
param="enth_mol_form_liq_comp_ref",
units=units["energy_mole"])
def build_parameters(cobj):
if not hasattr(cobj, "cp_mol_ig_comp_coeff_A"):
cp_mol_ig_comp.build_parameters(cobj)
base_units = cobj.parent_block().get_metadata().default_units
h_units = (base_units["mass"] * base_units["length"]**2 *
base_units["time"]**-2 * base_units["amount"]**-1)
cobj.enth_mol_form_vap_comp_ref = Var(
doc="Vapor phase molar heat of formation @ Tref",
units=pyunits.cal / pyunits.mol)
set_param_value(cobj,
param="enth_mol_form_vap_comp_ref",
units=pyunits.cal / pyunits.mol)
def build_parameters(cobj):
cobj.cp_mol_ig_comp_coeff_A = Var(
doc="Parameter A for ideal gas molar heat capacity",
units=pyunits.cal / pyunits.mol / pyunits.K)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.cal / pyunits.mol / pyunits.K,
index="A")
cobj.cp_mol_ig_comp_coeff_B = Var(
doc="Parameter B for ideal gas molar heat capacity",
units=pyunits.cal / pyunits.mol / pyunits.K**2)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.cal / pyunits.mol / pyunits.K**2,
index="B")
cobj.cp_mol_ig_comp_coeff_C = Var(
doc="Parameter C for ideal gas molar heat capacity",
units=pyunits.cal / pyunits.mol / pyunits.K**3)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.cal / pyunits.mol / pyunits.K**3,
index="C")
cobj.cp_mol_ig_comp_coeff_D = Var(
doc="Parameter D for ideal gas molar heat capacity",
units=pyunits.cal / pyunits.mol / pyunits.K**4)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.cal / pyunits.mol / pyunits.K**4,
index="D")
def build_parameters(cobj):
cobj.dens_mol_liq_comp_coeff_1 = Var(
doc="Parameter 1 for liquid phase molar density",
units=pyunits.kmol * pyunits.m**-3)
set_param_value(cobj,
param="dens_mol_liq_comp_coeff",
units=pyunits.kmol * pyunits.m**-3,
index="1")
cobj.dens_mol_liq_comp_coeff_2 = Var(
doc="Parameter 2 for liquid phase molar density", units=None)
set_param_value(cobj,
param="dens_mol_liq_comp_coeff",
units=None,
index="2")
cobj.dens_mol_liq_comp_coeff_3 = Var(
doc="Parameter 3 for liquid phase molar density", units=pyunits.K)
set_param_value(cobj,
param="dens_mol_liq_comp_coeff",
units=pyunits.K,
index="3")
cobj.dens_mol_liq_comp_coeff_4 = Var(
doc="Parameter 4 for liquid phase molar density", units=None)
set_param_value(cobj,
param="dens_mol_liq_comp_coeff",
units=None,
index="4")
def build_parameters(cobj):
cobj.pressure_sat_comp_coeff_A = Var(
doc="Coefficient A for calculating Psat",
units=None)
set_param_value(cobj,
param="pressure_sat_comp_coeff",
units=None,
index="A")
cobj.pressure_sat_comp_coeff_B = Var(
doc="Coefficient B for calculating Psat",
units=None)
set_param_value(cobj,
param="pressure_sat_comp_coeff",
units=None,
index="B")
cobj.pressure_sat_comp_coeff_C = Var(
doc="Coefficient C for calculating Psat",
units=None)
set_param_value(cobj,
param="pressure_sat_comp_coeff",
units=None,
index="C")
cobj.pressure_sat_comp_coeff_D = Var(
doc="Coefficient D for calculating Psat",
units=None)
set_param_value(cobj,
param="pressure_sat_comp_coeff",
units=None,
index="D")
def build_parameters(rblock, config):
units = rblock.parent_block().get_metadata().derived_units
rbasis = rblock.parent_block().config.reaction_basis
if rbasis == MaterialFlowBasis.molar:
basis = "mole"
elif rbasis == MaterialFlowBasis.mass:
basis = "mass"
rblock.dh_rxn_ref = Var(
doc="Specific heat of reaction at reference state",
units=units["energy_" + basis])
set_param_value(rblock,
param="dh_rxn_ref",
units=units["energy_" + basis],
config=config)
def build(self):
super(ComponentData, self).build()
# If the component_list does not exist, add reference to new Component
# The IF is mostly for backwards compatability, to allow for old-style
# property packages where the component_list already exists but we
# need to add new Component objects
if not self.config._component_list_exists:
if not self.config._electrolyte:
self.__add_to_component_list()
else:
self._add_to_electrolyte_component_list()
base_units = self.parent_block().get_metadata().default_units
if isinstance(base_units["mass"], _PyomoUnit):
# Backwards compatability check
p_units = (base_units["mass"] / base_units["length"] /
base_units["time"]**2)
else:
# Backwards compatability check
p_units = None
# Create Param for molecular weight if provided
if "mw" in self.config.parameter_data:
if isinstance(self.config.parameter_data["mw"], tuple):
mw_init = pyunits.convert_value(
self.config.parameter_data["mw"][0],
from_units=self.config.parameter_data["mw"][1],
to_units=base_units["mass"] / base_units["amount"])
else:
_log.debug("{} no units provided for parameter mw - assuming "
"default units".format(self.name))
mw_init = self.config.parameter_data["mw"]
self.mw = Param(initialize=mw_init,
units=base_units["mass"] / base_units["amount"])
# Create Vars for common parameters
param_dict = {
"pressure_crit": p_units,
"temperature_crit": base_units["temperature"],
"omega": None
}
for p, u in param_dict.items():
if p in self.config.parameter_data:
self.add_component(p, Var(units=u))
set_param_value(self, p, u)
def build_parameters(rblock, config):
parent = rblock.parent_block()
units = parent.get_metadata().derived_units
c_form = config.concentration_form
if c_form is None:
raise ConfigurationError(
"{} concentration_form configuration argument was not set. "
"Please ensure that this argument is included in your "
"configuration dict.".format(rblock.name))
elif (c_form == ConcentrationForm.moleFraction
or c_form == ConcentrationForm.massFraction):
e_units = None
else:
order = 0
for p, j in parent.config.property_package._phase_component_set:
order += rblock.reaction_order[p, j].value
if (c_form == ConcentrationForm.molarity
or c_form == ConcentrationForm.activity):
c_units = units["density_mole"]
elif c_form == ConcentrationForm.molality:
c_units = units["amount"] * units["mass"]**-1
elif c_form == ConcentrationForm.partialPressure:
c_units = units["pressure"]
else:
raise BurntToast(
"{} get_concentration_term received unrecognised "
"ConcentrationForm ({}). This should not happen - please "
"contact the IDAES developers with this bug.".format(
rblock.name, c_form))
e_units = c_units**order
rblock.k_eq_ref = Var(doc="Equilibrium constant at reference state",
units=e_units)
set_param_value(rblock, param="k_eq_ref", units=e_units, config=config)
rblock.T_eq_ref = Var(
doc="Reference temperature for equilibrium constant",
units=units["temperature"])
set_param_value(rblock,
param="T_eq_ref",
units=units["temperature"],
config=config)
def build_parameters(cobj):
cobj.cp_mol_liq_comp_coeff_1 = Var(
doc="Parameter 1 for liquid phase molar heat capacity",
units=pyunits.J * pyunits.kmol**-1 * pyunits.K**-1)
set_param_value(cobj,
param="cp_mol_liq_comp_coeff",
units=pyunits.J * pyunits.kmol**-1 * pyunits.K**-1,
index="1")
cobj.cp_mol_liq_comp_coeff_2 = Var(
doc="Parameter 2 for liquid phase molar heat capacity",
units=pyunits.J * pyunits.kmol**-1 * pyunits.K**-2)
set_param_value(cobj,
param="cp_mol_liq_comp_coeff",
units=pyunits.J * pyunits.kmol**-1 * pyunits.K**-2,
index="2")
cobj.cp_mol_liq_comp_coeff_3 = Var(
doc="Parameter 3 for liquid phase molar heat capacity",
units=pyunits.J * pyunits.kmol**-1 * pyunits.K**-3)
set_param_value(cobj,
param="cp_mol_liq_comp_coeff",
units=pyunits.J * pyunits.kmol**-1 * pyunits.K**-3,
index="3")
cobj.cp_mol_liq_comp_coeff_4 = Var(
doc="Parameter 4 for liquid phase molar heat capacity",
units=pyunits.J * pyunits.kmol**-1 * pyunits.K**-4)
set_param_value(cobj,
param="cp_mol_liq_comp_coeff",
units=pyunits.J * pyunits.kmol**-1 * pyunits.K**-4,
index="4")
cobj.cp_mol_liq_comp_coeff_5 = Var(
doc="Parameter 5 for liquid phase molar heat capacity",
units=pyunits.J * pyunits.kmol**-1 * pyunits.K**-5)
set_param_value(cobj,
param="cp_mol_liq_comp_coeff",
units=pyunits.J * pyunits.kmol**-1 * pyunits.K**-5,
index="5")
def build_parameters(cobj):
cobj.pressure_sat_comp_coeff_A = Var(
doc="Antoine A coefficient for calculating Psat", units=None)
set_param_value(cobj,
param="pressure_sat_comp_coeff",
units=None,
index="A")
cobj.pressure_sat_comp_coeff_B = Var(
doc="Antoine B coefficient for calculating Psat", units=pyunits.K)
set_param_value(cobj,
param="pressure_sat_comp_coeff",
units=pyunits.K,
index="B")
cobj.pressure_sat_comp_coeff_C = Var(
doc="Antoine C coefficient for calculating Psat", units=pyunits.K)
set_param_value(cobj,
param="pressure_sat_comp_coeff",
units=pyunits.K,
index="C")
def build_parameters(cobj):
cobj.cp_mol_ig_comp_coeff_A = Var(
doc="Shomate A parameter for ideal gas molar heat capacity",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1,
index="A")
cobj.cp_mol_ig_comp_coeff_B = Var(
doc="Shomate B parameter for ideal gas molar heat capacity",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1 *
pyunits.kiloK**-1)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1 *
pyunits.kiloK**-1,
index="B")
cobj.cp_mol_ig_comp_coeff_C = Var(
doc="Shomate C parameter for ideal gas molar heat capacity",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1 *
pyunits.kiloK**-2)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1 *
pyunits.kiloK**-2,
index="C")
cobj.cp_mol_ig_comp_coeff_D = Var(
doc="Shomate D parameter for ideal gas molar heat capacity",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1 *
pyunits.kiloK**-3)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1 *
pyunits.kiloK**-3,
index="D")
cobj.cp_mol_ig_comp_coeff_E = Var(
doc="Shomate E parameter for ideal gas molar heat capacity",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1 *
pyunits.kiloK**2)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1 *
pyunits.kiloK**2,
index="E")
cobj.cp_mol_ig_comp_coeff_F = Var(
doc="Shomate F parameter for ideal gas molar heat capacity",
units=pyunits.kJ * pyunits.mol**-1)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.kJ * pyunits.mol**-1,
index="F")
cobj.cp_mol_ig_comp_coeff_G = Var(
doc="Shomate G parameter for ideal gas molar heat capacity",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.J * pyunits.mol**-1 * pyunits.K**-1,
index="G")
cobj.cp_mol_ig_comp_coeff_H = Var(
doc="Shomate H parameter for ideal gas molar heat capacity",
units=pyunits.kJ * pyunits.mol**-1)
set_param_value(cobj,
param="cp_mol_ig_comp_coeff",
units=pyunits.kJ * pyunits.mol**-1,
index="H")
