def build(self):
'''
Callable method for Block construction.
'''
super(PropertyInterrogatorData, self).build()
self._state_block_class = InterrogatorStateBlock
# Phase objects
if self.config.phase_list is None:
self.Liq = LiquidPhase()
self.Vap = VaporPhase()
else:
for p, t in self.config.phase_list.items():
if t is None:
t = Phase
elif not isclass(t) or not issubclass(t, Phase):
raise ConfigurationError(
f"{self.name} invalid phase type {t} (for phase {p})."
f" Type must be a subclass of Phase.")
self.add_component(p, t())
# Component objects
if self.config.component_list is None:
self.A = Component()
self.B = Component()
else:
for j, t in self.config.component_list.items():
if t is None:
t = Component
elif not isclass(t) or not issubclass(t, Component):
raise ConfigurationError(
f"{self.name} invalid component type {t} (for "
f"component {j}). Type must be a subclass of "
f"Component.")
self.add_component(j, t())
# Set up dict to record property calls
self.required_properties = {}
# Dummy phase equilibrium definition so we can handle flash cases
self.phase_equilibrium_idx = Set(initialize=[1])
self.phase_equilibrium_list = \
{1: ["A", ("Vap", "Liq")]}
def build(self):
'''
Callable method for Block construction.
'''
super(PhysicalParameterData, self).build()
self._state_block_class = GasPhaseStateBlock
# Create Phase object
self.Vap = VaporPhase()
# Create Component objects
self.N2 = Component()
self.O2 = Component()
self.CO2 = Component()
self.H2O = Component()
# Gas Constant
self.gas_const = Param(within=PositiveReals,
default=8.314459848e-3,
doc='Gas Constant [kJ/mol.K]',
units=pyunits.kJ / pyunits.mol / pyunits.K)
# Mol. weights of gas - units = kg/mol. ref: NIST webbook
mw_comp_dict = {'O2': 0.032, 'N2': 0.028, 'CO2': 0.044, 'H2O': 0.018}
self.mw_comp = Param(
self.component_list,
mutable=False,
initialize=mw_comp_dict,
doc="Molecular weights of gas components [kg/mol]",
units=pyunits.kg / pyunits.mol)
# Std. heat of formation of comp. - units = kJ/(mol comp) - ref: NIST
enth_mol_form_comp_dict = {
'O2': 0,
'N2': 0,
'CO2': -393.5224,
'H2O': -241.8264
}
self.enth_mol_form_comp = Param(
self.component_list,
mutable=False,
initialize=enth_mol_form_comp_dict,
doc="Component molar heats of formation [kJ/mol]",
units=pyunits.kJ / pyunits.mol)
# Ideal gas spec. heat capacity parameters(Shomate) of
# components - ref: NIST webbook. Shomate equations from NIST.
# Parameters A-E are used for cp calcs while A-H are used for enthalpy
# calc.
# 1e3*cp_comp = A + B*T + C*T^2 + D*T^3 + E/(T^2)
# where T = Temperature (K)/1000, and cp_comp = (kJ/mol.K)
# H_comp = H - H(298.15) = A*T + B*T^2/2 + C*T^3/3 +
# D*T^4/4 - E/T + F - H where T = Temp (K)/1000 and H_comp = (kJ/mol)
cp_param_dict = {
('O2', 1): 30.03235,
('O2', 2): 8.772972,
('O2', 3): -3.988133,
('O2', 4): 0.788313,
('O2', 5): -0.741599,
('O2', 6): -11.32468,
('O2', 7): 236.1663,
('O2', 8): 0.0000,
('N2', 1): 19.50583,
('N2', 2): 19.88705,
('N2', 3): -8.598535,
('N2', 4): 1.369784,
('N2', 5): 0.527601,
('N2', 6): -4.935202,
('N2', 7): 212.3900,
('N2', 8): 0.0000,
('CO2', 1): 24.9973500,
('CO2', 2): 55.1869600,
('CO2', 3): -33.6913700,
('CO2', 4): 7.9483870,
('CO2', 5): -0.1366380,
('CO2', 6): -403.6075000,
('CO2', 7): 228.2431000,
('CO2', 8): -393.5224000,
('H2O', 1): 30.0920000,
('H2O', 2): 6.8325140,
('H2O', 3): 6.7934350,
('H2O', 4): -2.5344800,
('H2O', 5): 0.0821390,
('H2O', 6): -250.8810000,
('H2O', 7): 223.3967000,
('H2O', 8): -241.8264000
}
self.cp_param = Param(self.component_list,
range(1, 10),
mutable=False,
initialize=cp_param_dict,
doc="Shomate equation heat capacity parameters")
# Viscosity constants:
# Reference: Perry and Green Handbook; McGraw Hill, 2008
visc_d_param_dict = {
('O2', 1): 1.101e-6,
('O2', 2): 0.5634,
('O2', 3): 96.3,
('O2', 4): 0,
('N2', 1): 6.5592e-7,
('N2', 2): 0.6081,
('N2', 3): 54.714,
('N2', 4): 0,
('CO2', 1): 2.148e-6,
('CO2', 2): 0.46,
('CO2', 3): 290,
('CO2', 4): 0,
('H2O', 1): 1.7096e-8,
('H2O', 2): 1.1146,
('H2O', 3): 0,
('H2O', 4): 0
}
self.visc_d_param = Param(self.component_list,
range(1, 10),
mutable=True,
initialize=visc_d_param_dict,
doc="Dynamic viscosity constants")
# Thermal conductivity constants:
# Reference: Perry and Green Handbook; McGraw Hill, 2008
therm_cond_param_dict = {
('N2', 1): 3.3143e-4,
('N2', 2): 0.7722,
('N2', 3): 16.323,
('N2', 4): 0,
('O2', 1): 4.4994e-4,
('O2', 2): 0.7456,
('O2', 3): 56.699,
('O2', 4): 0,
('CO2', 1): 3.69,
('CO2', 2): -0.3838,
('CO2', 3): 964,
('CO2', 4): 1.86e6,
('H2O', 1): 6.204e-6,
('H2O', 2): 1.3973,
('H2O', 3): 0,
('H2O', 4): 0
}
self.therm_cond_param = Param(self.component_list,
range(1, 10),
mutable=True,
initialize=therm_cond_param_dict,
doc="Thermal conductivity constants")
# Component diffusion volumes:
# Ref: (1) Prop gas & liquids (2) Fuller et al. IECR, 58(5), 19, 1966
diff_vol_param_dict = {
'O2': 16.6,
'N2': 17.9,
'CO2': 26.9,
'H2O': 13.1
}
self.diff_vol_param = Param(self.component_list,
mutable=True,
initialize=diff_vol_param_dict,
doc="Component diffusion volumes")
self._eps = Param(initialize=1e-8,
doc="Smooth abs reformulation parameter")
def build(self):
'''
Callable method for Block construction.
'''
super(PhysicalParameterData, self).build()
self._state_block_class = GasPhaseStateBlock
# Create Phase object
self.Vap = VaporPhase()
# Create Component objects
self.CH4 = Component()
self.CO2 = Component()
self.H2O = Component()
# -------------------------------------------------------------------------
""" Pure gas component properties"""
# Mol. weights of gas - units = kg/mol. ref: NIST webbook
mw_comp_dict = {'CH4': 0.016, 'CO2': 0.044, 'H2O': 0.018}
# Molecular weight should be defined in default units
# (default mass units)/(default amount units)
# per the define_meta.add_default_units method below
self.mw_comp = Param(
self.component_list,
mutable=False,
initialize=mw_comp_dict,
doc="Molecular weights of gas components [kg/mol]",
units=pyunits.kg / pyunits.mol)
# Std. heat of formation of comp. - units = J/(mol comp) - ref: NIST
enth_mol_form_comp_dict = {
'CH4': -74.8731E3,
'CO2': -393.5224E3,
'H2O': -241.8264E3
}
self.enth_mol_form_comp = Param(
self.component_list,
mutable=False,
initialize=enth_mol_form_comp_dict,
doc="Component molar heats of formation [J/mol]",
units=pyunits.J / pyunits.mol)
# Ideal gas spec. heat capacity parameters(Shomate) of
# components - ref: NIST webbook. Shomate equations from NIST.
# Parameters A-E are used for cp calcs while A-H are used for enthalpy
# calc.
# cp_comp = A + B*T + C*T^2 + D*T^3 + E/(T^2)
# where T = Temperature (K)/1000, and cp_comp = (J/mol.K)
# H_comp = H - H(298.15) = A*T + B*T^2/2 + C*T^3/3 +
# D*T^4/4 - E/T + F - H where T = Temp (K)/1000 and H_comp = (kJ/mol)
cp_param_dict = {
('CH4', 1): -0.7030290,
('CH4', 2): 108.4773000,
('CH4', 3): -42.5215700,
('CH4', 4): 5.8627880,
('CH4', 5): 0.6785650,
('CH4', 6): -76.8437600,
('CH4', 7): 158.7163000,
('CH4', 8): -74.8731000,
('CO2', 1): 24.9973500,
('CO2', 2): 55.1869600,
('CO2', 3): -33.6913700,
('CO2', 4): 7.9483870,
('CO2', 5): -0.1366380,
('CO2', 6): -403.6075000,
('CO2', 7): 228.2431000,
('CO2', 8): -393.5224000,
('H2O', 1): 30.0920000,
('H2O', 2): 6.8325140,
('H2O', 3): 6.7934350,
('H2O', 4): -2.5344800,
('H2O', 5): 0.0821390,
('H2O', 6): -250.8810000,
('H2O', 7): 223.3967000,
('H2O', 8): -241.8264000
}
self.cp_param_1 = Param(
self.component_list,
mutable=False,
initialize={k: v
for (k, j), v in cp_param_dict.items() if j == 1},
doc="Shomate equation heat capacity coeff 1",
units=pyunits.J / pyunits.mol / pyunits.K)
self.cp_param_2 = Param(
self.component_list,
mutable=False,
initialize={k: v
for (k, j), v in cp_param_dict.items() if j == 2},
doc="Shomate equation heat capacity coeff 2",
units=pyunits.J / pyunits.mol / pyunits.K / pyunits.kK)
self.cp_param_3 = Param(
self.component_list,
mutable=False,
initialize={k: v
for (k, j), v in cp_param_dict.items() if j == 3},
doc="Shomate equation heat capacity coeff 3",
units=pyunits.J / pyunits.mol / pyunits.K / pyunits.kK**2)
self.cp_param_4 = Param(
self.component_list,
mutable=False,
initialize={k: v
for (k, j), v in cp_param_dict.items() if j == 4},
doc="Shomate equation heat capacity coeff 4",
units=pyunits.J / pyunits.mol / pyunits.K / pyunits.kK**3)
self.cp_param_5 = Param(
self.component_list,
mutable=False,
initialize={k: v
for (k, j), v in cp_param_dict.items() if j == 5},
doc="Shomate equation heat capacity coeff 5",
units=pyunits.J / pyunits.mol / pyunits.K * pyunits.kK**2)
self.cp_param_6 = Param(
self.component_list,
mutable=False,
initialize={k: v
for (k, j), v in cp_param_dict.items() if j == 6},
doc="Shomate equation heat capacity coeff 6",
units=pyunits.kJ / pyunits.mol)
self.cp_param_7 = Param(
self.component_list,
mutable=False,
initialize={k: v
for (k, j), v in cp_param_dict.items() if j == 7},
doc="Shomate equation heat capacity coeff 7",
units=pyunits.J / pyunits.mol / pyunits.K)
self.cp_param_8 = Param(
self.component_list,
mutable=False,
initialize={k: v
for (k, j), v in cp_param_dict.items() if j == 8},
doc="Shomate equation heat capacity coeff 8",
units=pyunits.kJ / pyunits.mol)
# Viscosity constants:
# Reference: Perry and Green Handbook; McGraw Hill, 2008
visc_d_param_dict = {
('CH4', 1): 5.2546e-7,
('CH4', 2): 0.59006,
('CH4', 3): 105.67,
('CH4', 4): 0,
('CO2', 1): 2.148e-6,
('CO2', 2): 0.46,
('CO2', 3): 290,
('CO2', 4): 0,
('H2O', 1): 1.7096e-8,
('H2O', 2): 1.1146,
('H2O', 3): 0,
('H2O', 4): 0
}
self.visc_d_param_1 = Param(
self.component_list,
mutable=True,
initialize={
k: v
for (k, j), v in visc_d_param_dict.items() if j == 1
},
doc="Dynamic viscosity constants",
units=pyunits.kg / pyunits.m / pyunits.s)
# The units of parameter 1 are dependent upon the value of parameter 2:
# [visc_d_param_1] = kg/m-s * K^(-(value([visc_d_param_2)))
# this is accounted for in the equation on line 655
self.visc_d_param_2 = Param(
self.component_list,
mutable=True,
initialize={
k: v
for (k, j), v in visc_d_param_dict.items() if j == 2
},
doc="Dynamic viscosity constants",
units=pyunits.dimensionless)
self.visc_d_param_3 = Param(
self.component_list,
mutable=True,
initialize={
k: v
for (k, j), v in visc_d_param_dict.items() if j == 3
},
doc="Dynamic viscosity constants",
units=pyunits.K)
self.visc_d_param_4 = Param(
self.component_list,
mutable=True,
initialize={
k: v
for (k, j), v in visc_d_param_dict.items() if j == 4
},
doc="Dynamic viscosity constants",
units=pyunits.K**2)
# Thermal conductivity constants:
# Reference: Perry and Green Handbook; McGraw Hill, 2008
therm_cond_param_dict = {
('CH4', 1): 8.3983e-6,
('CH4', 2): 1.4268,
('CH4', 3): -49.654,
('CH4', 4): 0,
('CO2', 1): 3.69,
('CO2', 2): -0.3838,
('CO2', 3): 964,
('CO2', 4): 1.86e6,
('H2O', 1): 6.204e-6,
('H2O', 2): 1.3973,
('H2O', 3): 0,
('H2O', 4): 0
}
self.therm_cond_param_1 = Param(
self.component_list,
mutable=True,
initialize={
k: v
for (k, j), v in therm_cond_param_dict.items() if j == 1
},
doc="Dynamic viscosity constants",
units=pyunits.J / pyunits.m / pyunits.s)
# The units of parameter 1 are dependent upon the value of parameter 2:
# [therm_cond_param_1] = J/m-s * K^(-(1 + value([therm_cond_param_2)))
# this is accounted for in the equation on line 734
self.therm_cond_param_2 = Param(
self.component_list,
mutable=True,
initialize={
k: v
for (k, j), v in therm_cond_param_dict.items() if j == 2
},
doc="Dynamic viscosity constants",
units=pyunits.dimensionless)
self.therm_cond_param_3 = Param(
self.component_list,
mutable=True,
initialize={
k: v
for (k, j), v in therm_cond_param_dict.items() if j == 3
},
doc="Dynamic viscosity constants",
units=pyunits.K)
self.therm_cond_param_4 = Param(
self.component_list,
mutable=True,
initialize={
k: v
for (k, j), v in therm_cond_param_dict.items() if j == 4
},
doc="Dynamic viscosity constants",
units=pyunits.K**2)
# Component diffusion volumes:
# Ref: (1) Prop gas & liquids (2) Fuller et al. IECR, 58(5), 19, 1966
diff_vol_param_dict = {'CH4': 24.42, 'CO2': 26.9, 'H2O': 13.1}
self.diff_vol_param = Param(self.component_list,
mutable=True,
initialize=diff_vol_param_dict,
doc="Component diffusion volumes",
units=pyunits.dimensionless)
# Set default scaling
for comp in self.component_list:
self.set_default_scaling("mole_frac_comp", 1e2, index=comp)
self.set_default_scaling("visc_d", 1e4)
self.set_default_scaling("therm_cond", 1e2)
def build(self):
"""Add contents to the block."""
super().build()
self._state_block_class = FlueGasStateBlock
_valid_comps = ["N2", "O2", "NO", "CO2", "H2O", "SO2"]
for j in self.config.components:
if j not in _valid_comps:
raise ConfigurationError(f"Component '{j}' is not supported")
self.add_component(j, Component())
# Create Phase object
self.Vap = VaporPhase()
# Molecular weight
self.mw_comp = Param(
self.component_list,
initialize={
k: v
for k, v in {
"O2": 0.0319988,
"N2": 0.0280134,
"NO": 0.0300061,
"CO2": 0.0440095,
"H2O": 0.0180153,
"SO2": 0.064064,
}.items() if k in self.component_list
},
doc="Molecular Weight [kg/mol]",
units=pyunits.kg / pyunits.mol,
)
# Thermodynamic reference state
self.pressure_ref = Param(
within=PositiveReals,
default=1.01325e5,
doc="Reference pressure [Pa]",
units=pyunits.Pa,
)
self.temperature_ref = Param(
within=PositiveReals,
default=298.15,
doc="Reference temperature [K]",
units=pyunits.K,
)
# Critical Properties
self.pressure_crit = Param(
self.component_list,
within=PositiveReals,
initialize={
k: v
for k, v in {
"O2": 50.45985e5,
"N2": 33.943875e5,
"NO": 64.85e5,
"CO2": 73.8e5,
"H2O": 220.64e5,
"SO2": 7.883e6,
}.items() if k in self.component_list
},
doc="Critical pressure [Pa]",
units=pyunits.Pa,
)
self.temperature_crit = Param(
self.component_list,
within=PositiveReals,
initialize={
k: v
for k, v in {
"O2": 154.58,
"N2": 126.19,
"NO": 180.0,
"CO2": 304.18,
"H2O": 647,
"SO2": 430.8,
}.items() if k in self.component_list
},
doc="Critical temperature [K]",
units=pyunits.K,
)
# Constants for specific heat capacity, enthalpy, and entropy
# calculations for ideal gas (from NIST 01/08/2020
# https://webbook.nist.gov/cgi/cbook.cgi?ID=C7727379&Units=SI&Mask=1#Thermo-Gas)
cp_mol_ig_comp_coeff_parameter_A = {
k: v
for k, v in {
"N2": 19.50583,
"O2": 30.03235,
"CO2": 24.99735,
"H2O": 30.092,
"NO": 23.83491,
"SO2": 21.43049,
}.items() if k in self.component_list
}
cp_mol_ig_comp_coeff_parameter_B = {
k: v
for k, v in {
"N2": 19.88705,
"O2": 8.772972,
"CO2": 55.18696,
"H2O": 6.832514,
"NO": 12.58878,
"SO2": 74.35094,
}.items() if k in self.component_list
}
cp_mol_ig_comp_coeff_parameter_C = {
k: v
for k, v in {
"N2": -8.598535,
"O2": -3.98813,
"CO2": -33.69137,
"H2O": 6.793435,
"NO": -1.139011,
"SO2": -57.75217,
}.items() if k in self.component_list
}
cp_mol_ig_comp_coeff_parameter_D = {
k: v
for k, v in {
"N2": 1.369784,
"O2": 0.788313,
"CO2": 7.948387,
"H2O": -2.53448,
"NO": -1.497459,
"SO2": 16.35534,
}.items() if k in self.component_list
}
cp_mol_ig_comp_coeff_parameter_E = {
k: v
for k, v in {
"N2": 0.527601,
"O2": -0.7416,
"CO2": -0.136638,
"H2O": 0.082139,
"NO": 0.214194,
"SO2": 0.086731,
}.items() if k in self.component_list
}
cp_mol_ig_comp_coeff_parameter_F = {
k: v
for k, v in {
"N2": -4.935202,
"O2": -11.3247,
"CO2": -403.6075,
"H2O": -250.881,
"NO": 83.35783,
"SO2": -305.7688,
}.items() if k in self.component_list
}
cp_mol_ig_comp_coeff_parameter_G = {
k: v
for k, v in {
"N2": 212.39,
"O2": 236.1663,
"CO2": 228.2431,
"H2O": 223.3967,
"NO": 237.1219,
"SO2": 254.8872,
}.items() if k in self.component_list
}
cp_mol_ig_comp_coeff_parameter_H = {
k: v
for k, v in {
"N2": 0,
"O2": 0,
"CO2": -393.5224,
"H2O": -241.8264,
"NO": 90.29114,
"SO2": -296.8422,
}.items() if k in self.component_list
}
self.cp_mol_ig_comp_coeff_A = Param(
self.component_list,
initialize=cp_mol_ig_comp_coeff_parameter_A,
doc="Constants for spec. heat capacity for ideal gas",
units=pyunits.J / pyunits.mol / pyunits.K,
)
self.cp_mol_ig_comp_coeff_B = Param(
self.component_list,
initialize=cp_mol_ig_comp_coeff_parameter_B,
doc="Constants for spec. heat capacity for ideal gas",
units=pyunits.J / pyunits.mol / pyunits.K / pyunits.kK,
)
self.cp_mol_ig_comp_coeff_C = Param(
self.component_list,
initialize=cp_mol_ig_comp_coeff_parameter_C,
doc="Constants for spec. heat capacity for ideal gas",
units=pyunits.J / pyunits.mol / pyunits.K / pyunits.kK**2,
)
self.cp_mol_ig_comp_coeff_D = Param(
self.component_list,
initialize=cp_mol_ig_comp_coeff_parameter_D,
doc="Constants for spec. heat capacity for ideal gas",
units=pyunits.J / pyunits.mol / pyunits.K / pyunits.kK**3,
)
self.cp_mol_ig_comp_coeff_E = Param(
self.component_list,
initialize=cp_mol_ig_comp_coeff_parameter_E,
doc="Constants for spec. heat capacity for ideal gas",
units=pyunits.J / pyunits.mol / pyunits.K * pyunits.kK**2,
)
self.cp_mol_ig_comp_coeff_F = Param(
self.component_list,
initialize=cp_mol_ig_comp_coeff_parameter_F,
doc="Constants for spec. heat capacity for ideal gas",
units=pyunits.kJ / pyunits.mol,
)
self.cp_mol_ig_comp_coeff_G = Param(
self.component_list,
initialize=cp_mol_ig_comp_coeff_parameter_G,
doc="Constants for spec. heat capacity for ideal gas",
units=pyunits.J / pyunits.mol / pyunits.K,
)
self.cp_mol_ig_comp_coeff_H = Param(
self.component_list,
initialize=cp_mol_ig_comp_coeff_parameter_H,
doc="Constants for spec. heat capacity for ideal gas",
units=pyunits.kJ / pyunits.mol,
)
# Viscosity and thermal conductivity parameters
self.ce_param = Param(
initialize=2.6693e-5,
units=(pyunits.g**0.5 * pyunits.mol**0.5 * pyunits.angstrom**2 *
pyunits.K**-0.5 * pyunits.cm**-1 * pyunits.s**-1),
doc="Parameter for the Chapman-Enskog viscosity correlation",
)
self.sigma = Param(
self.component_list,
initialize={
k: v
for k, v in {
"O2": 3.458,
"N2": 3.621,
"NO": 3.47,
"CO2": 3.763,
"H2O": 2.605,
"SO2": 4.29,
}.items() if k in self.component_list
},
doc="collision diameter",
units=pyunits.angstrom,
)
self.ep_Kappa = Param(
self.component_list,
initialize={
k: v
for k, v in {
"O2": 107.4,
"N2": 97.53,
"NO": 119.0,
"CO2": 244.0,
"H2O": 572.4,
"SO2": 252.0,
}.items() if k in self.component_list
},
doc=
"Boltzmann constant divided by characteristic Lennard-Jones energy",
units=pyunits.K,
)
self.set_default_scaling("flow_mol", 1e-4)
self.set_default_scaling("flow_mass", 1e-3)
self.set_default_scaling("flow_vol", 1e-3)
# anything not explicitly listed
self.set_default_scaling("mole_frac_comp", 1)
self.set_default_scaling("mole_frac_comp", 1e3, index="NO")
self.set_default_scaling("mole_frac_comp", 1e3, index="SO2")
self.set_default_scaling("mole_frac_comp", 1e2, index="H2O")
self.set_default_scaling("mole_frac_comp", 1e2, index="CO2")
self.set_default_scaling("flow_vol", 1)
# For flow_mol_comp, will calculate from flow_mol and mole_frac_comp
# user should set a scale for both, and for each compoent of
# mole_frac_comp
self.set_default_scaling("pressure", 1e-5)
self.set_default_scaling("temperature", 1e-1)
self.set_default_scaling("pressure_red", 1e-3)
self.set_default_scaling("temperature_red", 1)
self.set_default_scaling("enth_mol_phase", 1e-3)
self.set_default_scaling("enth_mol", 1e-3)
self.set_default_scaling("entr_mol", 1e-2)
self.set_default_scaling("entr_mol_phase", 1e-2)
self.set_default_scaling("cp_mol", 0.1)
self.set_default_scaling("cp_mol_phase", 0.1)
self.set_default_scaling("compress_fact", 1)
self.set_default_scaling("dens_mol_phase", 1)
self.set_default_scaling("pressure_sat", 1e-4)
self.set_default_scaling("visc_d_comp", 1e4)
self.set_default_scaling("therm_cond_comp", 1e2)
self.set_default_scaling("visc_d", 1e4)
self.set_default_scaling("therm_cond", 1e2)
self.set_default_scaling("mw", 1)
self.set_default_scaling("mw_comp", 1)
def build(self):
'''
Callable method for Block construction.
'''
super(HDAParameterData, self).build()
self._state_block_class = HDAStateBlock
self.benzene = Component()
self.toluene = Component()
self.methane = Component()
self.hydrogen = Component()
self.diphenyl = Component()
self.Vap = VaporPhase()
# Thermodynamic reference state
self.pressure_ref = Param(mutable=True,
default=101325,
units=pyunits.Pa,
doc='Reference pressure')
self.temperature_ref = Param(mutable=True,
default=298.15,
units=pyunits.K,
doc='Reference temperature')
# Source: The Properties of Gases and Liquids (1987)
# 4th edition, Chemical Engineering Series - Robert C. Reid
self.mw_comp = Param(self.component_list,
mutable=False,
initialize={'benzene': 78.1136E-3,
'toluene': 92.1405E-3,
'hydrogen': 2.016e-3,
'methane': 16.043e-3,
'diphenyl': 154.212e-4},
units=pyunits.kg/pyunits.mol,
doc="Molecular weight")
# Constants for specific heat capacity, enthalpy
# Sources: The Properties of Gases and Liquids (1987)
# 4th edition, Chemical Engineering Series - Robert C. Reid
self.cp_mol_ig_comp_coeff_A = Var(
self.component_list,
initialize={"benzene": -3.392E1,
"toluene": -2.435E1,
"hydrogen": 2.714e1,
"methane": 1.925e1,
"diphenyl": -9.707e1},
units=pyunits.J/pyunits.mol/pyunits.K,
doc="Parameter A for ideal gas molar heat capacity")
self.cp_mol_ig_comp_coeff_A.fix()
self.cp_mol_ig_comp_coeff_B = Var(
self.component_list,
initialize={"benzene": 4.739E-1,
"toluene": 5.125E-1,
"hydrogen": 9.274e-3,
"methane": 5.213e-2,
"diphenyl": 1.106e0},
units=pyunits.J/pyunits.mol/pyunits.K**2,
doc="Parameter B for ideal gas molar heat capacity")
self.cp_mol_ig_comp_coeff_B.fix()
self.cp_mol_ig_comp_coeff_C = Var(
self.component_list,
initialize={"benzene": -3.017E-4,
"toluene": -2.765E-4,
"hydrogen": -1.381e-5,
"methane": -8.855e-4,
"diphenyl": -8.855e-4},
units=pyunits.J/pyunits.mol/pyunits.K**3,
doc="Parameter C for ideal gas molar heat capacity")
self.cp_mol_ig_comp_coeff_C.fix()
self.cp_mol_ig_comp_coeff_D = Var(
self.component_list,
initialize={"benzene": 7.130E-8,
"toluene": 4.911E-8,
"hydrogen": 7.645e-9,
"methane": -1.132e-8,
"diphenyl": 2.790e-7},
units=pyunits.J/pyunits.mol/pyunits.K**4,
doc="Parameter D for ideal gas molar heat capacity")
self.cp_mol_ig_comp_coeff_D.fix()
# Source: NIST Webook, https://webbook.nist.gov/, retrieved 11/3/2020
self.enth_mol_form_vap_comp_ref = Var(
self.component_list,
initialize={"benzene": -82.9e3,
"toluene": -50.1e3,
"hydrogen": 0,
"methane": -75e3,
"diphenyl": -180e3},
units=pyunits.J/pyunits.mol,
doc="Standard heat of formation at reference state")
self.enth_mol_form_vap_comp_ref.fix()