#####################################################################################################
# “PrOMMiS” was produced under the DOE Process Optimization and Modeling for Minerals Sustainability
# (“PrOMMiS”) initiative, and is copyright (c) 2023-2026 by the software owners: The Regents of the
# University of California, through Lawrence Berkeley National Laboratory, et al. All rights reserved.
# Please see the files COPYRIGHT.md and LICENSE.md for full copyright and license information.
#####################################################################################################
"""
Initial property package for West Kentucky No. 13 coal refuse.
Authors: Andrew Lee, Douglas Allan
"""
from pyomo.environ import Constraint, Param, Var, units
from idaes.core import (
Component,
MaterialFlowBasis,
Phase,
PhysicalParameterBlock,
StateBlock,
StateBlockData,
declare_process_block_class,
)
from idaes.core.util.initialization import fix_state_vars
from idaes.core.scaling import CustomScalerBase
from idaes.core.util.misc import add_object_reference
reo_list = [
"Sc2O3",
"Y2O3",
"La2O3",
"Ce2O3",
"Pr2O3",
"Nd2O3",
"Sm2O3",
"Gd2O3",
"Dy2O3",
]
[docs]
class CoalRefusePropertiesScaler(CustomScalerBase):
"""
Scaler for coal refuse solids.
"""
CONFIG = CustomScalerBase.CONFIG
DEFAULT_SCALING_FACTORS = {
"flow_mass": 1e-1,
"conversion_comp": 1,
"mass_frac_comp[inerts]": 1,
"mass_frac_comp[Al2O3]": 3,
"mass_frac_comp[Fe2O3]": 30,
"mass_frac_comp[CaO]": 300,
}
for reo in reo_list:
if reo == "Ce2O3":
DEFAULT_SCALING_FACTORS[f"mass_frac_comp[{reo}]"] = 1e4
else:
DEFAULT_SCALING_FACTORS[f"mass_frac_comp[{reo}]"] = 1e5
[docs]
def variable_scaling_routine(
self, model, overwrite: bool = False, submodel_scalers: dict = None
):
# Scale state variables
self.scale_variable_by_default(model.flow_mass, overwrite=overwrite)
for var in model.mass_frac_comp.values():
self.scale_variable_by_default(var, overwrite=overwrite)
# Scale other variables
if model.is_property_constructed("conversion_comp"):
for var in model.conversion_comp.values():
self.scale_variable_by_default(var, overwrite=overwrite)
[docs]
def constraint_scaling_routine(
self, model, overwrite: bool = False, submodel_scalers: dict = None
):
if model.is_property_constructed("conversion_comp"):
for idx, condata in model.conversion_comp_eqn.items():
self.scale_constraint_by_component(
condata, model.mass_frac_comp[idx], overwrite=overwrite
)
if model.is_property_constructed("sum_mass_frac"):
self.set_constraint_scaling_factor(
model.sum_mass_frac, 1, overwrite=overwrite
)
# -----------------------------------------------------------------------------
# Leach solution property package
[docs]
@declare_process_block_class("CoalRefuseParameters")
class CoalRefuseParameterData(PhysicalParameterBlock):
"""
Solid phase property package for West Kentucky No. 13 coal waste.
Based on assay provided in:
RESEARCH PERFORMANCE FINAL REPORT, Pilot-Scale Testing of an Integrated
Circuit for the Extraction of Rare Earth Minerals and Elements from Coal
and Coal Byproducts Using Advanced Separation Technologies,
Honaker, R.Q., et al., DE-FE0027035
Includes the following components:
* Inerts
* Rare Earth Oxides: Sc2O3, Y2O3, La2O3, Ce2O3, Pr2O3, Nd2O3, Sm2O3, Gd2O3, Dy2O3
* Impurities: Al2O3, CaO, Fe2O3
"""
[docs]
def build(self):
super().build()
self.solid = Phase()
# Solids
self.inerts = Component()
# REEs
self.Sc2O3 = Component()
self.Y2O3 = Component()
self.La2O3 = Component()
self.Ce2O3 = Component()
self.Pr2O3 = Component()
self.Nd2O3 = Component()
self.Sm2O3 = Component()
self.Gd2O3 = Component()
self.Dy2O3 = Component()
# Contaminants
self.Al2O3 = Component()
self.CaO = Component()
self.Fe2O3 = Component()
self.mw = Param(
self.component_list,
units=units.kg / units.mol,
initialize={
"inerts": 60.08e-3,
"Sc2O3": (44.946 * 2 + 3 * 15.999) * 1e-3,
"Y2O3": (88.905 * 2 + 3 * 15.999) * 1e-3,
"La2O3": (138.905 * 2 + 3 * 15.999) * 1e-3,
"Ce2O3": (140.116 * 2 + 3 * 15.999) * 1e-3,
"Pr2O3": (140.907 * 2 + 3 * 15.999) * 1e-3,
"Nd2O3": (144.242 * 2 + 3 * 15.999) * 1e-3,
"Sm2O3": (150.36 * 2 + 3 * 15.999) * 1e-3,
"Gd2O3": (157.25 * 2 + 3 * 15.999) * 1e-3,
"Dy2O3": (162.50 * 2 + 3 * 15.999) * 1e-3,
"Al2O3": (26.982 * 2 + 3 * 15.999) * 1e-3,
"CaO": (40.078 + 15.999) * 1e-3,
"Fe2O3": (55.845 * 2 + 3 * 15.999) * 1e-3,
},
)
self.mass_frac_comp_initial = Param(
self.component_list,
units=units.kg / units.kg,
initialize={
"inerts": 0.6952,
"Al2O3": 0.237,
"Fe2O3": 0.0642,
"CaO": 3.31e-3,
"Sc2O3": 2.77966e-05,
"Y2O3": 3.28653e-05,
"La2O3": 6.77769e-05,
"Ce2O3": 0.000156161,
"Pr2O3": 1.71438e-05,
"Nd2O3": 6.76618e-05,
"Sm2O3": 1.47926e-05,
"Gd2O3": 1.0405e-05,
"Dy2O3": 7.54827e-06,
},
)
self.dens_mass = Param(
units=units.kg / units.litre,
initialize=2.4,
mutable=True,
)
self.eps = Param(
initialize=1e-8,
mutable=True,
doc="Perturbation to avoid conversion values hitting their lower bound.",
)
self._state_block_class = CoalRefuseStateBlock
class _CoalRefuseStateBlock(StateBlock):
default_scaler = CoalRefusePropertiesScaler
def fix_initialization_states(self):
"""
Fixes state variables for state blocks.
Returns:
None
"""
# Fix state variables
fix_state_vars(self)
for sbd in self.values():
if not sbd.config.defined_state:
sbd.sum_mass_frac.deactivate()
[docs]
@declare_process_block_class("CoalRefuseStateBlock", block_class=_CoalRefuseStateBlock)
class CoalRefuseStateBlockData(StateBlockData):
"""
State block for solid West Kentucky No. 13 coal waste.
"""
default_scaler = CoalRefusePropertiesScaler
[docs]
def build(self):
super().build()
self.flow_mass = Var(
units=units.kg / units.hour,
bounds=(1e-8, None),
)
self.mass_frac_comp = Var(
self.params.component_list,
units=units.kg / units.kg,
bounds=(1e-12, 1.01),
)
if not self.config.defined_state:
self.sum_mass_frac = Constraint(
expr=1 == sum(self.mass_frac_comp[j] for j in self.component_list)
)
def _conversion_comp(self):
self.conversion_comp = Var(
self.params.component_list,
initialize=0.01,
units=units.dimensionless,
bounds=(0, 1 - 1e-8),
)
@self.Constraint(self.params.component_list)
def conversion_comp_eqn(b, j):
if j == "inerts":
return b.conversion_comp[j] == b.params.eps
# Fudge the initial mass fraction of non-inerts
# so that the initial conversion isn't exactly on its bounds
return (1 - b.conversion_comp[j]) * (
1 + b.params.eps
) * b.params.mass_frac_comp_initial[j] * b.mass_frac_comp[
"inerts"
] == b.mass_frac_comp[
j
] * b.params.mass_frac_comp_initial[
"inerts"
]
def _dens_mass(self):
add_object_reference(self, "dens_mass", self.params.dens_mass)
def _flow_vol(self):
@self.Expression()
def flow_vol(b):
return b.flow_mass / b.dens_mass
[docs]
def get_material_flow_terms(self, p, j):
return units.convert(
self.flow_mass * self.mass_frac_comp[j] / self.params.mw[j],
to_units=units.mol / units.hour,
)
[docs]
def get_material_density_terms(self, p, j):
return units.convert(
self.params.dens_mass * self.mass_frac_comp[j] / self.params.mw[j],
to_units=units.mol / units.m**3,
)
[docs]
def get_material_flow_basis(self):
return MaterialFlowBasis.molar
[docs]
def define_state_vars(self):
return {
"flow_mass": self.flow_mass,
"mass_frac_comp": self.mass_frac_comp,
}
