Custom_prop_1.py

"""
Initial property package for H2O-NaCl system
"""

# Import Python libraries
import logging

# Import Pyomo libraries
from pyomo.environ import Constraint, Expression, log, NonNegativeReals,\
    Var, Set, Param, sqrt, log10
from pyomo.opt import SolverFactory

# Import IDAES cores
from idaes.core import (declare_process_block_class,
                        MaterialFlowBasis,
                        PhysicalParameterBlock,
                        StateBlockData,
                        StateBlock,
                        MaterialBalanceType,
                        EnergyBalanceType)
from idaes.core.util.initialization import (fix_state_vars,
                                            revert_state_vars,
                                            solve_indexed_blocks)
from idaes.core.util.misc import add_object_reference, extract_data
from idaes.core.util.model_statistics import degrees_of_freedom, \
                                             number_unfixed_variables

# Set up logger
_log = logging.getLogger(__name__)


@declare_process_block_class("NaClParameterBlock")
class NaClParameterData(PhysicalParameterBlock):
    CONFIG = PhysicalParameterBlock.CONFIG()

    def build(self):
        '''
        Callable method for Block construction.
        '''
        super(NaClParameterData, self).build()

        self.state_block_class = IdealStateBlock

        self.component_list = Set(initialize=['H2O','NaCl'])

        self.phase_list = Set(initialize=['Liq'],ordered=True)

        # List of components in each phase (optional)
        self.phase_comp = {"Liq": self.component_list}

        # Source: google
        mw_comp_data = {'H2O': 18.0E-3,'NaCl': 58.4E-3}

        self.mw_comp = Param(self.component_list,
                             mutable=False,
                             initialize=extract_data(mw_comp_data),
                             doc="molecular weight Kg/mol")

    @classmethod
    def define_metadata(cls, obj):
        """Define properties supported and units."""
        obj.add_properties(
            {'flow_mass': {'method': None, 'units': 'g/s'},
             'flow_mass_comp': {'method': None, 'units': 'g/s'},
             'mass_frac': {'method': None, 'units': 'none'},
             'temperature': {'method': None, 'units': 'K'},
             'pressure': {'method': None, 'units': 'Pa'},
             'dens_mass': {'method': '_dens_mass', 'units': 'g/m3'},
             'dens_mass_comp': {'method': '_dens_mass_comp', 'units': 'g/m3'},
             'pressure_osm': {'method': '_pressure_osm', 'units': 'Pa'}
             })

        obj.add_default_units({'time': 's',
                               'length': 'm',
                               'mass': 'g',
                               'amount': 'mol',
                               'temperature': 'K',
                               'energy': 'J',
                               'holdup': 'g'})


class _IdealStateBlock(StateBlock):
    """
    This Class contains methods which should be applied to Property Blocks as a
    whole, rather than individual elements of indexed Property Blocks.
    """

    def initialize(blk, state_args={}, state_vars_fixed=False,
                   hold_state=False, outlvl=1,
                   solver='ipopt', optarg={'tol': 1e-8}):
        """
        Initialization routine for property package.
        Keyword Arguments:
            state_args : Dictionary with initial guesses for the state vars
                         chosen. Note that if this method is triggered
                         through the control volume, and if initial guesses
                         were not provied at the unit model level, the
                         control volume passes the inlet values as initial
                         guess.The keys for the state_args dictionary are:

                         flow_mol_phase_comp : value at which to initialize
                                               phase component flows
                         pressure : value at which to initialize pressure
                         temperature : value at which to initialize temperature
            outlvl : sets output level of initialization routine
                     * 0 = no output (default)
                     * 1 = return solver state for each step in routine
                     * 2 = include solver output infomation (tee=True)
            optarg : solver options dictionary object (default=None)
            state_vars_fixed: Flag to denote if state vars have already been
                              fixed.
                              - True - states have already been fixed by the
                                       control volume 1D. Control volume 0D
                                       does not fix the state vars, so will
                                       be False if this state block is used
                                       with 0D blocks.
                             - False - states have not been fixed. The state
                                       block will deal with fixing/unfixing.
            solver : str indicating whcih solver to use during
                     initialization (default = 'ipopt')
            hold_state : flag indicating whether the initialization routine
                         should unfix any state variables fixed during
                         initialization (default=False).
                         - True - states varaibles are not unfixed, and
                                 a dict of returned containing flags for
                                 which states were fixed during
                                 initialization.
                        - False - state variables are unfixed after
                                 initialization by calling the
                                 relase_state method
        Returns:
            If hold_states is True, returns a dict containing flags for
            which states were fixed during initialization.
        """

        _log.info('Starting {} initialization'.format(blk.name))

        # Fix state variables if not already fixed
        if state_vars_fixed is False:
            flags = fix_state_vars(blk, state_args)

        else:
            # Check when the state vars are fixed already result in dof 0
            for k in blk.keys():
                if degrees_of_freedom(blk[k]) != 0:
                    raise Exception("State vars fixed but degrees of freedom "
                                    "for state block is not zero during "
                                    "initialization.")
        # Set solver options
        if outlvl > 1:
            stee = True
        else:
            stee = False

        if optarg is None:
            sopt = {'tol': 1e-8}
        else:
            sopt = optarg

        opt = SolverFactory('ipopt')
        opt.options = sopt

@declare_process_block_class("IdealStateBlock",
                             block_class=_IdealStateBlock)
class IdealStateBlockData(StateBlockData):
    """An example property package for ideal VLE."""

    def build(self):
        """Callable method for Block construction."""
        super(IdealStateBlockData, self).build()

        # Add state variables
        self.flow_mass = Var(
            initialize=0.5,
            bounds=(1e-8, 100),
            doc='mass flow rate [g/s]')

        self.mass_frac_comp = Var(
            self._params.component_list,
            initialize=0.1,
            bounds=(1e-8, 1),
            doc='mass fraction [unitless]')

        self.eq_mass_frac_balance = \
            Constraint(expr=
                       1 - sum(self.mass_frac_comp[j] for
                               j in self._params.component_list)
                       == 0)

        self.pressure = Var(
            initialize=101325,
            bounds=(101325, 400000),
            domain=NonNegativeReals,
            doc='State pressure [Pa]')

        self.temperature = Var(
            initialize=298.15,
            bounds=(298.15, 1000),
            domain=NonNegativeReals,
            doc='State temperature [K]')

        # Add supporting variables
        # def flow_mass_comp(b,j):
        #     return b.flow_mass * b.mass_frac_comp[j]
        # self.flow_mass_comp = Expression(self._params.component_list,
        #                                  rule=flow_mass_comp,
        #                                  doc='mass fraction [unitless]')

        #

# -----------------------------------------------------------------------------
# Property Methods
    def _dens_mass(self):
        self.dens_mass = Var(
            initialize=1e6,
            bounds=(1, 1e7),
            doc="Mass density [g/m^3]")
        self.eq_dens_mass = Constraint(expr=
                                       self.dens_mass == 1000 *
                                       (995 + 756 * self.mass_frac_comp['NaCl']))

    def _dens_mass_comp(self):
        self.dens_mass_comp = Var(
                        self._params.component_list,
                        initialize=1e5,
                        bounds=(1, 1e8),
                        doc="Mass dens_mass_compentration [g/m^3]")

        def rule_dens_mass_comp(b, j):
            return b.dens_mass_comp[j] == b.dens_mass * b.mass_frac_comp[j]
        self.eq_dens_mass_comp = Constraint(self._params.component_list,
                                            rule=rule_dens_mass_comp)

    def _pressure_osm(self):
        self.pressure_osm = Var(
            initialize=1e6,
            bounds=(1, 1e8),
            doc="Osmotic pressure [Pa]")

        def rule_pressure_osm(b):
            c = b.dens_mass_comp['NaCl'] / 1000
            return b.pressure_osm == \
                   0.848 * (3.14e-6 * c ** 2 + 2.13e-4 * c + 0.917) * c * 1e5
        self.eq_pressure_osm = Constraint(rule=rule_pressure_osm)

# -----------------------------------------------------------------------------
# General Methods
    def get_material_flow_terms(self, p, j):
        """Create material flow terms for control volume."""
        return self.flow_mass * self.mass_frac_comp[j]

    def get_enthalpy_flow_terms(self, p):
        """Create enthalpy flow terms."""
        # return self.flow_mol_phase[p] * self.enth_mol_phase[p]
        pass

    def get_material_density_terms(self, p, j):
        """Create material density terms."""
        # if j in self._params.component_list:
        #     return self.dens_mol_phase[p] * self.mole_frac_phase_comp[p, j]
        # else:
        #     return 0
        pass

    def get_enthalpy_density_terms(self, p):
        """Create enthalpy density terms."""
        # return self.dens_mol_phase[p] * self.energy_internal_mol_phase[p]
        pass

    def default_material_balance_type(self):
        return MaterialBalanceType.componentPhase

    def default_energy_balance_type(self):
        return EnergyBalanceType.enthalpyTotal

    def get_material_flow_basis(b):
        return MaterialFlowBasis.mass

    def define_state_vars(self):
        """Define state vars."""
        return {"flow_mass": self.flow_mass,
                "mass_frac_comp": self.mass_frac_comp,
                "temperature": self.temperature,
                "pressure": self.pressure}