#####################################################################################################
# “PrOMMiS” was produced under the DOE Process Optimization and Modeling for Minerals Sustainability
# (“PrOMMiS”) initiative, and is copyright (c) 2023-2024 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 the organic phase solution of the solvent extraction
unit operation.
Authors: Arkoprabho Dasgupta
"""
from pyomo.environ import Param, Set, 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
[docs]
@declare_process_block_class("REESolExOgParameters")
class REESolExOgParameterData(PhysicalParameterBlock):
"""
This is a property package for the organic phase solution of the solvent extraction
unit operation of the University of Kentucky pilot plant flowsheet.
This includes the following components:
* Solvent: DEHPA
* Rare Earths: Sc, Y, La, Ce, Pr, Nd, Sm, Gd, Dy
* Impurities: Al, Ca, Fe
DEHPA is not considered to be involved in any reaction.
"""
[docs]
def build(self):
super().build()
self.liquid = Phase()
# Solvents
self.DEHPA = Component()
# Contaminants
self.Al = Component()
self.Ca = Component()
self.Fe = Component()
# REEs
self.Sc = Component()
self.Y = Component()
self.La = Component()
self.Ce = Component()
self.Pr = Component()
self.Nd = Component()
self.Sm = Component()
self.Gd = Component()
self.Dy = Component()
self.dissolved_elements = Set(
initialize=[
"Al",
"Ca",
"Fe",
"Sc",
"Y",
"La",
"Ce",
"Pr",
"Nd",
"Sm",
"Gd",
"Dy",
]
)
self.mw = Param(
self.component_list,
units=units.kg / units.mol,
initialize={
"DEHPA": 322.431e-3,
"Sc": 44.946e-3,
"Y": 88.905e-3,
"La": 138.905e-3,
"Ce": 140.116e-3,
"Pr": 140.907e-3,
"Nd": 144.242e-3,
"Sm": 150.36e-3,
"Gd": 157.25e-3,
"Dy": 162.50e-3,
"Al": 26.982e-3,
"Ca": 40.078e-3,
"Fe": 55.845e-3,
},
)
# density of DEHPA
self.dens_mass = Param(
initialize=975.8e-3,
units=units.kg / units.litre,
mutable=True,
)
self._state_block_class = REESolExOgStateBlock
class _REESolExOgStateBlock(StateBlock):
def fix_initialization_states(self):
fix_state_vars(self)
[docs]
@declare_process_block_class("REESolExOgStateBlock", block_class=_REESolExOgStateBlock)
class REESolExOgStateBlockData(StateBlockData):
"""
State block for organic phase solution of the solvent extraction process.
"""
[docs]
def build(self):
super().build()
self.conc_mass_comp = Var(
self.params.dissolved_elements,
units=units.mg / units.L,
initialize=1e-7,
bounds=(1e-20, None),
)
self.flow_vol = Var(units=units.L / units.hour, bounds=(1e-8, None))
self.conc_mol_comp = Var(
self.params.dissolved_elements,
units=units.mol / units.L,
initialize=1e-5,
bounds=(1e-20, None),
)
# Concentration conversion constraint
@self.Constraint(self.params.dissolved_elements)
def molar_concentration_constraint(b, j):
return (
units.convert(
b.conc_mol_comp[j] * b.params.mw[j], to_units=units.mg / units.litre
)
== b.conc_mass_comp[j]
)
[docs]
def get_material_flow_basis(self):
return MaterialFlowBasis.molar
[docs]
def get_material_flow_terms(self, p, j):
if j == "DEHPA":
return self.flow_vol * self.params.dens_mass / self.params.mw[j]
else:
return units.convert(
self.flow_vol * self.conc_mass_comp[j] / self.params.mw[j],
to_units=units.mol / units.hour,
)
[docs]
def get_material_density_terms(self, p, j):
if j == "DEHPA":
return units.convert(
self.params.dens_mass / self.params.mw[j],
to_units=units.mol / units.m**3,
)
else:
return units.convert(
self.conc_mass_comp[j] / self.params.mw[j],
to_units=units.mol / units.m**3,
)
[docs]
def define_state_vars(self):
return {"flow_vol": self.flow_vol, "conc_mass_comp": self.conc_mass_comp}