#####################################################################################################
# “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, Lingyan Deng
"""
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
# -----------------------------------------------------------------------------
# Crusher solid property package
[docs]
@declare_process_block_class("CoalRefuseParameters")
class CoalRefuseParameterData(PhysicalParameterBlock):
[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._state_block_class = CoalRefuseStateBlock
self.bond_work_index = Param(
units=units.W
* units.hour
/ units.kg, # original unit in equation (kw.hour/tonne)
initialize=12, # Bond work index
mutable=True,
doc="Bond work index",
)
class _CoalRefuseStateBlock(StateBlock):
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. Particle size related from SysCAD Crusher2 model.
"""
[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-8, None),
)
# TODO: This really should have a _comp suffix
self.conversion = Var(
self.params.component_list,
initialize=0,
units=units.dimensionless,
bounds=(None, 0.99),
)
self.particle_size_median = Var(
units=units.um, # um micrometer. unit need to convert
initialize=80, # Feed median particle size, micrometer
bounds=(10, None),
doc="Feed median Particle Size, micrometer",
)
self.particle_size_width = Var(
units=units.dimensionless, # unitless
initialize=1.5, # Feed particle distribution width parameter
bounds=(1e-6, None),
doc="Feed particle distribution width parameter",
)
@self.Constraint(self.params.component_list)
def conversion_eq(b, j):
if j == "inerts":
return b.conversion[j] == 0
return (1 - b.conversion[j]) * b.params.mass_frac_comp_initial[
j
] * b.mass_frac_comp["inerts"] == b.mass_frac_comp[
j
] * b.params.mass_frac_comp_initial[
"inerts"
]
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)
)
[docs]
def get_material_flow_terms(self, p, j):
return self.flow_mass * self.mass_frac_comp[j] / self.params.mw[j]
[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,
"particle_size_median": self.particle_size_median,
"particle_size_width": self.particle_size_width,
}
