Source code for watertap.examples.flowsheets.RO_with_energy_recovery.RO_with_energy_recovery

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# WaterTAP Copyright (c) 2020-2024, The Regents of the University of California,
# through Lawrence Berkeley National Laboratory, Oak Ridge National Laboratory,
# National Renewable Energy Laboratory, and National Energy Technology
# Laboratory (subject to receipt of any required approvals from the U.S. Dept.
# of Energy). All rights reserved.
#
# Please see the files COPYRIGHT.md and LICENSE.md for full copyright and license
# information, respectively. These files are also available online at the URL
# "https://github.com/watertap-org/watertap/"
#################################################################################

from pyomo.environ import (
    ConcreteModel,
    value,
    Constraint,
    Objective,
    Param,
    TransformationFactory,
    assert_optimal_termination,
)
from pyomo.network import Arc
from idaes.core import FlowsheetBlock
from idaes.core.solvers import get_solver
from idaes.core.util.model_statistics import degrees_of_freedom
from idaes.core.util.initialization import solve_indexed_blocks, propagate_state
from idaes.models.unit_models import Mixer, Separator, Product, Feed
from idaes.models.unit_models.mixer import MomentumMixingType
from idaes.core import UnitModelCostingBlock
import idaes.core.util.scaling as iscale
import idaes.logger as idaeslog
from idaes.core.util.misc import StrEnum

import watertap.property_models.NaCl_prop_pack as props
from watertap.unit_models.reverse_osmosis_0D import (
    ReverseOsmosis0D,
    ConcentrationPolarizationType,
    MassTransferCoefficient,
    PressureChangeType,
)
from watertap.unit_models.pressure_exchanger import PressureExchanger
from watertap.unit_models.pressure_changer import Pump, EnergyRecoveryDevice
from watertap.core.util.initialization import assert_degrees_of_freedom
from watertap.costing import WaterTAPCosting


[docs]class ERDtype(StrEnum): pressure_exchanger = "pressure_exchanger" pump_as_turbine = "pump_as_turbine" no_ERD = "no_ERD"
def erd_type_not_found(erd_type): raise NotImplementedError( "erd_type was {}, but can only " "be pressure_exchanger, pump_as_turbine, or no_ERD" "".format(erd_type.value) ) def main(erd_type=ERDtype.pressure_exchanger): # set up solver solver = get_solver() # build, set, and initialize m = build(erd_type=erd_type) set_operating_conditions(m) initialize_system(m, solver=solver) assert_optimal_termination(solve(m, solver=solver)) # optimize and display optimize_set_up(m) solve(m, solver=solver) display_system(m) display_design(m) if erd_type == ERDtype.pressure_exchanger: display_state(m) else: pass return m def build(erd_type=ERDtype.pressure_exchanger): # flowsheet set up m = ConcreteModel() m.fs = FlowsheetBlock(dynamic=False) m.fs.erd_type = erd_type m.fs.properties = props.NaClParameterBlock() m.fs.costing = WaterTAPCosting() # Control volume flow blocks m.fs.feed = Feed(property_package=m.fs.properties) m.fs.product = Product(property_package=m.fs.properties) m.fs.disposal = Product(property_package=m.fs.properties) # --- Main pump --- m.fs.P1 = Pump(property_package=m.fs.properties) m.fs.P1.costing = UnitModelCostingBlock(flowsheet_costing_block=m.fs.costing) # --- Reverse Osmosis Block --- m.fs.RO = ReverseOsmosis0D( property_package=m.fs.properties, has_pressure_change=True, pressure_change_type=PressureChangeType.calculated, mass_transfer_coefficient=MassTransferCoefficient.calculated, concentration_polarization_type=ConcentrationPolarizationType.calculated, ) m.fs.RO.costing = UnitModelCostingBlock(flowsheet_costing_block=m.fs.costing) # --- ERD blocks --- if erd_type == ERDtype.pressure_exchanger: m.fs.S1 = Separator(property_package=m.fs.properties, outlet_list=["P1", "PXR"]) m.fs.PXR = PressureExchanger(property_package=m.fs.properties) m.fs.P2 = Pump(property_package=m.fs.properties) m.fs.M1 = Mixer( property_package=m.fs.properties, momentum_mixing_type=MomentumMixingType.equality, inlet_list=["P1", "P2"], ) # add costing for PX and recirculation pump m.fs.PXR.costing = UnitModelCostingBlock(flowsheet_costing_block=m.fs.costing) m.fs.P2.costing = UnitModelCostingBlock(flowsheet_costing_block=m.fs.costing) # mixer and separator have no associated costing elif erd_type == ERDtype.pump_as_turbine: # add energy recovery turbine block m.fs.ERD = EnergyRecoveryDevice(property_package=m.fs.properties) # add costing for ERD config m.fs.ERD.costing = UnitModelCostingBlock(flowsheet_costing_block=m.fs.costing) elif erd_type == ERDtype.no_ERD: pass else: erd_type_not_found(erd_type) # process costing and add system level metrics m.fs.costing.cost_process() m.fs.costing.add_annual_water_production(m.fs.product.properties[0].flow_vol) m.fs.costing.add_LCOW(m.fs.product.properties[0].flow_vol) m.fs.costing.add_specific_energy_consumption(m.fs.product.properties[0].flow_vol) m.fs.costing.add_specific_electrical_carbon_intensity( m.fs.product.properties[0].flow_vol ) # connections if erd_type == ERDtype.pressure_exchanger: m.fs.s01 = Arc(source=m.fs.feed.outlet, destination=m.fs.S1.inlet) m.fs.s02 = Arc(source=m.fs.S1.P1, destination=m.fs.P1.inlet) m.fs.s03 = Arc(source=m.fs.P1.outlet, destination=m.fs.M1.P1) m.fs.s04 = Arc(source=m.fs.M1.outlet, destination=m.fs.RO.inlet) m.fs.s05 = Arc(source=m.fs.RO.permeate, destination=m.fs.product.inlet) m.fs.s06 = Arc(source=m.fs.RO.retentate, destination=m.fs.PXR.brine_inlet) m.fs.s07 = Arc(source=m.fs.PXR.brine_outlet, destination=m.fs.disposal.inlet) m.fs.s08 = Arc(source=m.fs.S1.PXR, destination=m.fs.PXR.feed_inlet) m.fs.s09 = Arc(source=m.fs.PXR.feed_outlet, destination=m.fs.P2.inlet) m.fs.s10 = Arc(source=m.fs.P2.outlet, destination=m.fs.M1.P2) elif erd_type == ERDtype.pump_as_turbine: m.fs.s01 = Arc(source=m.fs.feed.outlet, destination=m.fs.P1.inlet) m.fs.s02 = Arc(source=m.fs.P1.outlet, destination=m.fs.RO.inlet) m.fs.s03 = Arc(source=m.fs.RO.permeate, destination=m.fs.product.inlet) m.fs.s04 = Arc(source=m.fs.RO.retentate, destination=m.fs.ERD.inlet) m.fs.s05 = Arc(source=m.fs.ERD.outlet, destination=m.fs.disposal.inlet) elif erd_type == ERDtype.no_ERD: m.fs.s01 = Arc(source=m.fs.feed.outlet, destination=m.fs.P1.inlet) m.fs.s02 = Arc(source=m.fs.P1.outlet, destination=m.fs.RO.inlet) m.fs.s03 = Arc(source=m.fs.RO.permeate, destination=m.fs.product.inlet) m.fs.s04 = Arc(source=m.fs.RO.retentate, destination=m.fs.disposal.inlet) else: # this case should be caught in the previous conditional erd_type_not_found(erd_type) TransformationFactory("network.expand_arcs").apply_to(m) # set unit model values iscale.set_scaling_factor(m.fs.P1.control_volume.work, 1e-3) iscale.set_scaling_factor(m.fs.RO.area, 1e-2) if erd_type == ERDtype.pressure_exchanger: iscale.set_scaling_factor(m.fs.P2.control_volume.work, 1e-3) iscale.set_scaling_factor(m.fs.PXR.feed_side.work, 1e-3) iscale.set_scaling_factor(m.fs.PXR.brine_side.work, 1e-3) # touch properties used in specifying and initializing the model m.fs.S1.mixed_state[0].mass_frac_phase_comp m.fs.S1.PXR_state[0].flow_vol_phase["Liq"] elif erd_type == ERDtype.pump_as_turbine: iscale.set_scaling_factor(m.fs.ERD.control_volume.work, 1e-3) elif erd_type == ERDtype.no_ERD: pass else: erd_type_not_found(erd_type) return m def set_operating_conditions( m, water_recovery=0.5, over_pressure=0.3, flow_vol=1e-3, salt_mass_conc=35e-3, solver=None, ): if solver is None: solver = get_solver() # ---specifications--- # feed # state variables m.fs.feed.properties[0].pressure.fix(101325) # feed pressure [Pa] m.fs.feed.properties[0].temperature.fix(273.15 + 25) # feed temperature [K] # scaling # set default property values m.fs.properties.set_default_scaling( "flow_mass_phase_comp", 1000 * flow_vol, index=("Liq", "H2O") ) m.fs.properties.set_default_scaling( "flow_mass_phase_comp", 1e-3 / flow_vol / salt_mass_conc, index=("Liq", "NaCl") ) m.fs.feed.properties[0].flow_vol_phase["Liq"] m.fs.feed.properties[0].mass_frac_phase_comp["Liq", "NaCl"] # set scaling factors iscale.set_scaling_factor( m.fs.P1.control_volume.properties_out[0].flow_vol_phase["Liq"], 1 ) iscale.set_scaling_factor(m.fs.P1.work_fluid[0], 1) iscale.set_scaling_factor(m.fs.RO.mass_transfer_phase_comp[0, "Liq", "NaCl"], 1e4) iscale.set_scaling_factor( m.fs.RO.feed_side.mass_transfer_term[0, "Liq", "NaCl"], 1e4 ) # calculate and propagate scaling factors iscale.calculate_scaling_factors(m) # properties (cannot be fixed for initialization routines, must calculate the state variables) m.fs.feed.properties.calculate_state( var_args={ ("flow_vol_phase", "Liq"): flow_vol, # feed volumetric flow rate [m3/s] ("mass_frac_phase_comp", ("Liq", "NaCl")): salt_mass_conc, }, # feed NaCl mass fraction [-] hold_state=True, # fixes the calculated component mass flow rates ) # pump 1, high pressure pump, 2 degrees of freedom (efficiency and outlet pressure) m.fs.P1.efficiency_pump.fix(0.80) # pump efficiency [-] operating_pressure = calculate_operating_pressure( feed_state_block=m.fs.feed.properties[0], over_pressure=over_pressure, water_recovery=water_recovery, NaCl_passage=0.01, solver=solver, ) m.fs.P1.control_volume.properties_out[0].pressure.fix(operating_pressure) # RO unit m.fs.RO.A_comp.fix(4.2e-12) # membrane water permeability coefficient [m/s-Pa] m.fs.RO.B_comp.fix(3.5e-8) # membrane salt permeability coefficient [m/s] m.fs.RO.feed_side.channel_height.fix(1e-3) # channel height in membrane stage [m] m.fs.RO.feed_side.spacer_porosity.fix(0.85) # spacer porosity in membrane stage [-] m.fs.RO.permeate.pressure[0].fix(101325) # atmospheric pressure [Pa] m.fs.RO.width.fix(5) # stage width [m] # initialize RO m.fs.RO.feed_side.properties_in[0].flow_mass_phase_comp["Liq", "H2O"] = value( m.fs.feed.properties[0].flow_mass_phase_comp["Liq", "H2O"] ) m.fs.RO.feed_side.properties_in[0].flow_mass_phase_comp["Liq", "NaCl"] = value( m.fs.feed.properties[0].flow_mass_phase_comp["Liq", "NaCl"] ) m.fs.RO.feed_side.properties_in[0].temperature = value( m.fs.feed.properties[0].temperature ) m.fs.RO.feed_side.properties_in[0].pressure = value( m.fs.P1.control_volume.properties_out[0].pressure ) m.fs.RO.area.fix(50) # guess area for RO initialization if m.fs.erd_type == ERDtype.pressure_exchanger: # pressure exchanger m.fs.PXR.efficiency_pressure_exchanger.fix( 0.95 ) # pressure exchanger efficiency [-] # pump 2, booster pump, 1 degree of freedom (efficiency, pressure must match high pressure pump) m.fs.P2.efficiency_pump.fix(0.80) elif m.fs.erd_type == ERDtype.pump_as_turbine: # energy recovery turbine - efficiency and outlet pressure m.fs.ERD.efficiency_pump.fix(0.95) m.fs.ERD.control_volume.properties_out[0].pressure.fix(101325) elif m.fs.erd_type == ERDtype.no_ERD: pass else: erd_type_not_found(m.fs.erd_type) m.fs.RO.initialize(optarg=solver.options) # unfix guessed area, and fix water recovery m.fs.RO.area.unfix() m.fs.RO.recovery_mass_phase_comp[0, "Liq", "H2O"].fix(water_recovery) # check degrees of freedom if degrees_of_freedom(m) != 0: raise RuntimeError( "The set_operating_conditions function resulted in {} " "degrees of freedom rather than 0. This error suggests " "that too many or not enough variables are fixed for a " "simulation.".format(degrees_of_freedom(m)) )
[docs]def calculate_operating_pressure( feed_state_block=None, over_pressure=0.15, water_recovery=0.5, NaCl_passage=0.01, solver=None, ): """ Estimate operating pressure for RO unit model given the following arguments: Arguments: feed_state_block: the state block of the RO feed that has the non-pressure state variables initialized to their values (default=None) over_pressure: the amount of operating pressure above the brine osmotic pressure represented as a fraction (default=0.15) water_recovery: the mass-based fraction of inlet H2O that becomes permeate (default=0.5) NaCl_passage: the mass-based fraction of inlet NaCl that becomes permeate (default=0.01) solver: solver object to be used (default=None) """ t = ConcreteModel() # create temporary model prop = feed_state_block.config.parameters t.brine = prop.build_state_block([0]) # specify state block t.brine[0].flow_mass_phase_comp["Liq", "H2O"].fix( value(feed_state_block.flow_mass_phase_comp["Liq", "H2O"]) * (1 - water_recovery) ) t.brine[0].flow_mass_phase_comp["Liq", "NaCl"].fix( value(feed_state_block.flow_mass_phase_comp["Liq", "NaCl"]) * (1 - NaCl_passage) ) t.brine[0].pressure.fix( 101325 ) # valid when osmotic pressure is independent of hydraulic pressure t.brine[0].temperature.fix(value(feed_state_block.temperature)) # calculate osmotic pressure # since properties are created on demand, we must touch the property to create it t.brine[0].pressure_osm_phase # solve state block results = solve_indexed_blocks(solver, [t.brine]) assert_optimal_termination(results) return value(t.brine[0].pressure_osm_phase["Liq"]) * (1 + over_pressure)
def solve(blk, solver=None, tee=False, check_termination=True): if solver is None: solver = get_solver() results = solver.solve(blk, tee=tee) if check_termination: assert_optimal_termination(results) return results def initialize_system(m, solver=None): if solver is None: solver = get_solver() optarg = solver.options # ---initialize RO--- m.fs.RO.initialize(optarg=optarg) # ---initialize feed block--- m.fs.feed.initialize(optarg=optarg) # --- initialize ERD --- if m.fs.erd_type == ERDtype.pressure_exchanger: initialize_pressure_exchanger(m, optarg) elif m.fs.erd_type == ERDtype.pump_as_turbine: initialize_pump_as_turbine(m, optarg) elif m.fs.erd_type == ERDtype.no_ERD: initialize_no_erd(m, optarg) else: erd_type_not_found(m.fs.erd_type) m.fs.costing.initialize() def initialize_pressure_exchanger(m, optarg): # ---initialize splitter and pressure exchanger--- # pressure exchanger high pressure inlet propagate_state(m.fs.s06) # propagate to PXR high pressure inlet from RO retentate m.fs.PXR.brine_side.properties_in.initialize(optarg=optarg) # splitter inlet propagate_state(m.fs.s01) # propagate to splitter inlet from feed m.fs.S1.mixed_state.initialize( optarg=optarg ) # initialize inlet state block to solve for mass fraction # splitter outlet to PXR, enforce same volumetric flow as PXR high pressure inlet m.fs.S1.PXR_state.calculate_state( var_args={ ( "flow_vol_phase", "Liq", ): value( # same volumetric flow rate as PXR high pressure inlet m.fs.PXR.brine_side.properties_in[0].flow_vol_phase["Liq"] ), ("mass_frac_phase_comp", ("Liq", "NaCl")): value( m.fs.S1.mixed_state[0].mass_frac_phase_comp["Liq", "NaCl"] ), # same as splitter inlet ("pressure", None): value( m.fs.S1.mixed_state[0].pressure ), # same as splitter inlet ("temperature", None): value(m.fs.S1.mixed_state[0].temperature), }, # same as splitter inlet ) # splitter initialization m.fs.S1.PXR_state[0].flow_mass_phase_comp[ "Liq", "NaCl" ].fix() # fix the single degree of freedom for unit m.fs.S1.initialize(optarg=optarg) m.fs.S1.PXR_state[0].flow_mass_phase_comp[ "Liq", "NaCl" ].unfix() # unfix for flowsheet simulation and optimization # pressure exchanger low pressure inlet propagate_state(m.fs.s08) # pressure exchanger initialization m.fs.PXR.initialize(optarg=optarg) # ---initialize pump 1--- propagate_state(m.fs.s02) m.fs.P1.initialize(optarg=optarg) # ---initialize pump 2--- propagate_state(m.fs.s09) m.fs.P2.control_volume.properties_out[0].pressure.fix( value(m.fs.P2.control_volume.properties_out[0].pressure) ) m.fs.P2.initialize(optarg=optarg) m.fs.P2.control_volume.properties_out[0].pressure.unfix() # ---initialize mixer--- propagate_state(m.fs.s03) propagate_state(m.fs.s10) m.fs.M1.initialize(optarg=optarg, outlvl=idaeslog.INFO) def initialize_pump_as_turbine(m, optarg): propagate_state(m.fs.s05) m.fs.ERD.initialize(optarg=optarg) propagate_state(m.fs.s01) m.fs.P1.initialize(optarg=optarg) propagate_state(m.fs.s02) def initialize_no_erd(m, optarg): propagate_state(m.fs.s01) m.fs.P1.initialize(optarg=optarg) propagate_state(m.fs.s02) def optimize_set_up(m): # add objective m.fs.objective = Objective(expr=m.fs.costing.LCOW) # unfix decision variables and add bounds # pump 1 and pump 2 m.fs.P1.control_volume.properties_out[0].pressure.unfix() m.fs.P1.control_volume.properties_out[0].pressure.setlb(10e5) m.fs.P1.control_volume.properties_out[0].pressure.setub(80e5) m.fs.P1.deltaP.setlb(0) if m.fs.erd_type == ERDtype.pressure_exchanger: m.fs.P2.control_volume.properties_out[0].pressure.setlb(10e5) m.fs.P2.control_volume.properties_out[0].pressure.setub(80e5) m.fs.P2.deltaP.setlb(0) else: # no additional optimization needed for pump_as_turbine configuration pass # RO m.fs.RO.area.unfix() m.fs.RO.area.setlb(1) m.fs.RO.area.setub(1500) m.fs.RO.feed_side.friction_factor_darcy[...].setub(None) # additional specifications m.fs.product_salinity = Param( initialize=500e-6, mutable=True ) # product NaCl mass fraction [-] m.fs.minimum_water_flux = Param( initialize=1.0 / 3600.0, mutable=True ) # minimum water flux [kg/m2-s] # additional constraints m.fs.eq_product_quality = Constraint( expr=m.fs.product.properties[0].mass_frac_phase_comp["Liq", "NaCl"] <= m.fs.product_salinity ) iscale.constraint_scaling_transform( m.fs.eq_product_quality, 1e3 ) # scaling constraint m.fs.eq_minimum_water_flux = Constraint( expr=m.fs.RO.flux_mass_phase_comp[0, 1, "Liq", "H2O"] >= m.fs.minimum_water_flux ) # ---checking model--- assert_degrees_of_freedom(m, 1) def optimize(m, solver=None, check_termination=True): # --solve--- return solve(m, solver=solver, check_termination=check_termination) def display_system(m): print("---system metrics---") feed_flow_mass = sum( m.fs.feed.flow_mass_phase_comp[0, "Liq", j].value for j in ["H2O", "NaCl"] ) feed_mass_frac_NaCl = ( m.fs.feed.flow_mass_phase_comp[0, "Liq", "NaCl"].value / feed_flow_mass ) print("Feed: %.2f kg/s, %.0f ppm" % (feed_flow_mass, feed_mass_frac_NaCl * 1e6)) prod_flow_mass = sum( m.fs.product.flow_mass_phase_comp[0, "Liq", j].value for j in ["H2O", "NaCl"] ) prod_mass_frac_NaCl = ( m.fs.product.flow_mass_phase_comp[0, "Liq", "NaCl"].value / prod_flow_mass ) print("Product: %.3f kg/s, %.0f ppm" % (prod_flow_mass, prod_mass_frac_NaCl * 1e6)) print( "Volumetric recovery: %.1f%%" % (value(m.fs.RO.recovery_vol_phase[0, "Liq"]) * 100) ) print( "Water recovery: %.1f%%" % (value(m.fs.RO.recovery_mass_phase_comp[0, "Liq", "H2O"]) * 100) ) print( "Energy Consumption: %.1f kWh/m3" % value(m.fs.costing.specific_energy_consumption) ) print("Levelized cost of water: %.2f $/m3" % value(m.fs.costing.LCOW)) def display_design(m): print("---decision variables---") print("Operating pressure %.1f bar" % (m.fs.RO.inlet.pressure[0].value / 1e5)) print("Membrane area %.1f m2" % (m.fs.RO.area.value)) print("---design variables---") print( "Pump 1\noutlet pressure: %.1f bar\npower %.2f kW" % ( m.fs.P1.outlet.pressure[0].value / 1e5, m.fs.P1.work_mechanical[0].value / 1e3, ) ) if m.fs.erd_type == ERDtype.pressure_exchanger: print("Separator") print("Split fraction %.2f" % (m.fs.S1.split_fraction[0, "PXR"].value * 100)) print( "Pump 2\noutlet pressure: %.1f bar\npower %.2f kW" % ( m.fs.P2.outlet.pressure[0].value / 1e5, m.fs.P2.work_mechanical[0].value / 1e3, ) ) elif m.fs.erd_type == ERDtype.pump_as_turbine: print( "ERD\ninlet pressure: %.1f bar\npower recovered %.2f kW" % ( m.fs.ERD.inlet.pressure[0].value / 1e5, -1 * m.fs.ERD.work_mechanical[0].value / 1e3, ) ) elif m.fs.erd_type == ERDtype.no_ERD: pass else: erd_type_not_found(m.fs.erd_type) def display_state(m): print("---state---") def print_state(s, b): flow_mass = sum( b.flow_mass_phase_comp[0, "Liq", j].value for j in ["H2O", "NaCl"] ) mass_frac_ppm = b.flow_mass_phase_comp[0, "Liq", "NaCl"].value / flow_mass * 1e6 pressure_bar = b.pressure[0].value / 1e5 print( s + ": %.3f kg/s, %.0f ppm, %.1f bar" % (flow_mass, mass_frac_ppm, pressure_bar) ) if m.fs.erd_type == ERDtype.no_ERD: print_state("Feed ", m.fs.feed.outlet) print_state("P1 out ", m.fs.P1.outlet) print_state("RO perm ", m.fs.RO.permeate) print_state("RO reten ", m.fs.RO.retentate) else: print_state("Feed ", m.fs.feed.outlet) print_state("Split 1 ", m.fs.S1.P1) print_state("P1 out ", m.fs.P1.outlet) print_state("Split 2 ", m.fs.S1.PXR) print_state("PXR feed out", m.fs.PXR.feed_outlet) print_state("P2 out ", m.fs.P2.outlet) print_state("Mix out ", m.fs.M1.outlet) print_state("RO perm ", m.fs.RO.permeate) print_state("RO reten ", m.fs.RO.retentate) print_state("PXR brine out", m.fs.PXR.brine_outlet) if __name__ == "__main__": m = main(erd_type=ERDtype.pump_as_turbine)