class BiLangmuir(BindingBaseClass):
"""Parameters for Multi Component Bi-Langmuir binding model.
Attributes
----------
adsorption_rate : list of unsigned floats. Length depends on n_comp.
Adsorption rate constants.
desorption_rate : list of unsigned floats. Length depends on n_comp.
Desorption rate constants
saturation_capacity : list of unsigned floats. Length depends on n_comp.
Maximum adsorption capacities.
"""
adsorption_rate = DependentlySizedUnsignedList(dep=('n_comp', 'n_states'))
desorption_rate = DependentlySizedUnsignedList(dep=('n_comp', 'n_states'),
default=1)
saturation_capacity = DependentlySizedUnsignedList(dep=('n_comp',
'n_states'))
n_states = UnsignedInteger()
def __init__(self, *args, n_states=2, **kwargs):
super().__init__(*args, **kwargs)
self.n_states = n_states
self._parameter_names += [
'adsorption_rate', 'desorption_rate', 'saturation_capacity',
'n_states'
]
@property
def n_total_states(self):
return self.n_comp * self.n_states
class Spreading(BindingBaseClass):
"""Multi Component Spreading adsoprtion isotherm.
Attributes
----------
adsorption_rate : Parameter
Adsorption rate constants.
desorption_rate : Parameter
Desorption rate constants.
maximum_adsorption_capacity : Parameter
Maximum adsoprtion capacities in state-major ordering.
exchange_from_1_2 : Parameter
Exchange rates from the first to the second bound state.
exchange_from_2_1 : Parameter
Exchange rates from the second to the first bound state.
"""
adsorption_rate = DependentlySizedUnsignedList(dep='n_comp')
desorption_rate = DependentlySizedUnsignedList(dep='n_comp', default=1)
maximum_adsorption_capacity = DependentlySizedUnsignedList(dep='n_comp')
exchange_from_1_1 = DependentlySizedUnsignedList(dep='n_comp')
exchange_from_2_1 = DependentlySizedUnsignedList(dep='n_comp')
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._parameter_names += [
'adsorption_rate', 'desorption_rate', 'activation_temp',
'maximum_adsorption_capacity', 'exchange_from_1_2',
'exchange_from_2_1'
]
class MobilePhaseModulator(BindingBaseClass):
"""Mobile Phase Modulator adsoprtion isotherm.
Attributes
----------
adsorption_rate : Parameter
Adsorption rate constants.
desorption_rate : Parameter
Desorption rate constants.
maximum_adsorption_capacity : Parameter
Maximum adsorption capacities.
ion_exchange_characteristic : Parameter
Parameters describing the ion-exchange characteristics (IEX).
hydrophobicity : Parameter
Parameters describing the hydrophobicity (HIC).
"""
adsorption_rate = DependentlySizedUnsignedList(dep='n_comp')
desorption_rate = DependentlySizedUnsignedList(dep='n_comp')
maximum_adsorption_capacity = DependentlySizedUnsignedList(dep='n_comp')
ion_exchange_characteristic = DependentlySizedUnsignedList(dep='n_comp')
beta = ion_exchange_characteristic
hydrophobicity = DependentlySizedUnsignedList(dep='n_comp')
gamma = hydrophobicity
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._parameter_names += [
'adsorption_rate',
'desorption_rate',
'maximum_adsorption_capacity',
'ion_exchange_characteristic',
'hydrophobicity',
]
class AntiLangmuir(BindingBaseClass):
"""Multi Component Anti-Langmuir adsoprtion isotherm.
Attributes
----------
adsorption_rate : list of unsigned floats.
Adsorption rate constants. Length depends on n_comp.
desorption_rate : list of unsigned floats. Length depends on n_comp.
Desorption rate constants. Length depends on n_comp.
maximum_adsorption_capacity : list of unsigned floats.
Maximum adsorption capacities. Length depends on n_comp.
antilangmuir : list of unsigned floats, optional.
Anti-Langmuir coefficients. Length depends on n_comp.
"""
adsorption_rate = DependentlySizedUnsignedList(dep='n_comp')
desorption_rate = DependentlySizedUnsignedList(dep='n_comp')
maximum_adsorption_capacity = DependentlySizedUnsignedList(dep='n_comp')
antilangmuir = DependentlySizedUnsignedList(dep='n_comp')
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self.adsorption_rate = [0.0] * self.n_comp
self.desorption_rate = [0.0] * self.n_comp
self.maximum_adsorption_capacity = [0.0] * self.n_comp
self.antilangmuir = [0.0] * self.n_comp
self._parameter_names += [
'adsorption_rate', 'desorption_rate',
'maximum_adsorption_capacity', 'antilangmuir'
]
class KumarMultiComponentLangmuir(BindingBaseClass):
"""Kumar Multi Component Langmuir adsoprtion isotherm.
Attributes
----------
adsorption_rate : Parameter
Adsorption rate constants.
desorption_rate : Parameter
Desorption rate constants.
maximum_adsorption_capacity : Parameter
Maximum adsoprtion capacities.
characteristic_charge: Parameter
Salt exponents/characteristic charges.
activation_temp : Parameter
Activation temperatures.
temperature : unsigned float.
Temperature.
"""
adsorption_rate = DependentlySizedUnsignedList(dep='n_comp')
desorption_rate = DependentlySizedUnsignedList(dep='n_comp', default=1)
maximum_adsorption_capacity = DependentlySizedUnsignedList(dep='n_comp')
characteristic_charge = DependentlySizedUnsignedList(dep='n_comp',
default=1)
activation_temp = DependentlySizedUnsignedList(dep='n_comp')
temperature = UnsignedFloat()
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._parameter_names += [
'adsorption_rate', 'desorption_rate',
'maximum_adsorption_capacity', 'characteristic_charge',
'activation_temp', 'temperature'
]
class LumpedRateModelWithoutPores(TubularReactor):
"""Parameters for a lumped rate model without pores.
Attributes
----------
total_porosity : UnsignedFloat between 0 and 1.
Total porosity of the column.
q : List of unsinged floats. Length depends on n_comp
Initial concentration of the bound phase.
Notes
-----
Although technically the LumpedRateModelWithoutPores does not have
particles, the particle reactions interface is used to support reactions
in the solid phase and cross-phase reactions.
"""
supports_bulk_reaction = False
supports_particle_reaction = True
total_porosity = UnsignedFloat(ub=1)
_parameters = TubularReactor._parameter_names + ['total_porosity']
q = DependentlySizedUnsignedList(dep=('n_comp', '_n_bound_states'),
default=0)
_initial_state = TubularReactor._initial_state + ['q']
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._discretization = LRMDiscretizationFV()
class Linear(BindingBaseClass):
"""Parameters for Linear binding model.
Attributes
----------
adsorption_rate : list of unsigned floats. Length depends on n_comp.
Adsorption rate constants.
desorption_rate : list of unsigned floats. Length depends on n_comp.
Desorption rate constants.
"""
adsorption_rate = DependentlySizedUnsignedList(dep='n_comp', default=0)
desorption_rate = DependentlySizedUnsignedList(dep='n_comp', default=1)
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._parameter_names += ['adsorption_rate', 'desorption_rate']
class Saska(BindingBaseClass):
""" Multistate Steric Mass Action adsoprtion isotherm.
Attributes
----------
henry_const : Parameter
The Henry coefficient.
quadratic_factor : Parameter
Quadratic factors.
"""
henry_const = DependentlySizedUnsignedList(dep='n_comp')
quadratic_factor = DependentlySizedUnsignedList(dep='n_comp')
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._parameter_names += ['henry_const', 'quadratic_factor']
class StericMassAction(BindingBaseClass):
"""Parameters for Steric Mass Action Law binding model.
Attributes
----------
adsorption_rate : list of unsigned floats. Length depends on n_comp.
Adsorption rate constants.
desorption_rate : list of unsigned floats. Length depends on n_comp.
Desorption rate constants.
characteristic_charge : list of unsigned floats. Length depends on n_comp.
The characteristic charge of the protein: The number sites v that
protein interacts on the resin surface.
steric_factor : list of unsigned floats. Length depends on n_comp.
Steric factors of the protein: The number of sites o on the surface
that are shileded by the protein and prevented from exchange with salt
counterions in solution.
capacity : unsigned float.
Stationary phase capacity (monovalent salt counterions); The total
number of binding sites available on the resin surface.
reference_liquid_phase_conc : unsigned float.
Reference liquid phase concentration (optional, default value = 1.0).
reference_solid_phase_conc : unsigned float.
Reference liquid phase concentration (optional, default value = 1.0).
"""
adsorption_rate = DependentlySizedUnsignedList(dep='n_comp')
desorption_rate = DependentlySizedUnsignedList(dep='n_comp', default=1)
characteristic_charge = DependentlySizedUnsignedList(dep='n_comp')
steric_factor = DependentlySizedUnsignedList(dep='n_comp')
capacity = UnsignedFloat()
reference_liquid_phase_conc = UnsignedFloat()
reference_solid_phase_conc = UnsignedFloat()
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._parameter_names += [
'adsorption_rate', 'desorption_rate', 'characteristic_charge',
'steric_factor', 'capacity', 'reference_liquid_phase_conc',
'reference_solid_phase_conc'
]
class Langmuir(BindingBaseClass):
"""Parameters for Multi Component Langmuir binding model.
Attributes
----------
adsorption_rate : list of unsigned floats. Length depends on n_comp.
Adsorption rate constants.
desorption_rate : list of unsigned floats. Length depends on n_comp.
Desorption rate constants.
saturation_capacity : list of unsigned floats. Length depends on n_comp.
Maximum adsorption capacities.
"""
adsorption_rate = DependentlySizedUnsignedList(dep='n_comp')
desorption_rate = DependentlySizedUnsignedList(dep='n_comp', default=1)
saturation_capacity = DependentlySizedUnsignedList(dep='n_comp')
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._parameter_names += [
'adsorption_rate', 'desorption_rate', 'saturation_capacity'
]
class MultistateStericMassAction(BindingBaseClass):
""" Multistate Steric Mass Action adsoprtion isotherm.
Attributes
----------
adsorption_rate : Parameter
Adsorption rate constants of the components to different bound states
in component-major ordering.
desorption_rate : Parameter
Desorption rate constants of the components to different bound states
in component-major ordering.
characteristic_charge : Parameter
Characteristic charges of the components to different bound states in
component-major ordering.
steric_factor : Parameter
Steric factor of the components to different bound states in
component-major ordering.
conversion_rate : Parameter
Conversion rates between different bound states in
component-major ordering.
capacity : Parameter
Stationary phase capacity (monovalent salt counterions): The total
number of binding sites available on the resin surface.
reference_liquid_phase_conc : Parameter
Reference liquid phase concentration (optional, default value = 1.0).
reference_solid_phase_conc : Parameter
Reference solid phase concentration (optional, default value = 1.0).
"""
adsorption_rate = DependentlySizedUnsignedList(dep='n_comp')
desorption_rate = DependentlySizedUnsignedList(dep='n_comp', default=1)
characteristic_charge = DependentlySizedUnsignedList(dep='n_comp')
steric_factor = DependentlySizedUnsignedList(dep='n_comp')
conversion_rate = DependentlySizedUnsignedList(dep='n_comp')
capacity = DependentlySizedUnsignedList(dep='n_comp')
reference_liquid_phase_conc = DependentlySizedUnsignedList(dep='n_comp',
default=1)
reference_solid_phase_conc = DependentlySizedUnsignedList(dep='n_comp',
default=1)
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._parameter_names += [
'adsorption_rate', 'desorption_rate', 'characteristic_charge',
'steric_factor', 'conversion_rate', 'capacity',
'reference_liquid_phase_conc', 'reference_solid_phase_conc'
]
class BiStericMassAction(BindingBaseClass):
""" Bi Steric Mass Action adsoprtion isotherm.
Attributes
----------
adsorption_rate : Parameter
Adsorption rate constants in state-major ordering.
desorption_rate : Parameter
Desorption rate constants in state-major ordering.
characteristic_charge : Parameter
Characteristic charges v(i,j) of the it-h protein with respect to the
j-th binding site type in state-major ordering.
steric_factor : Parameter
Steric factor o (i,j) of the it-h protein with respect to the j-th
binding site type in state-major ordering.
capacity : Parameter
Stationary phase capacity (monovalent salt counterions): The total
number of binding site types.
reference_liquid_phase_conc : Parameter
Reference liquid phase concentration for each binding site type or one
value for all types (optional, default value = 1.0).
reference_solid_phase_conc : Parameter
Reference solid phase concentration for each binding site type or one
value for all types (optional, default value = 1.0).
"""
adsorption_rate = DependentlySizedUnsignedList(dep=('n_comp', 'n_states'))
adsorption_rate_dimerization = DependentlySizedUnsignedList(
dep=('n_comp', 'n_states'))
desorption_rate = DependentlySizedUnsignedList(dep=('n_comp', 'n_states'))
characteristic_charge = DependentlySizedUnsignedList(dep=('n_comp',
'n_states'))
steric_factor = DependentlySizedUnsignedList(dep=('n_comp', 'n_states'))
capacity = DependentlySizedUnsignedList(dep='n_states')
reference_liquid_phase_conc = DependentlySizedUnsignedList(dep='n_states',
default=1)
reference_solid_phase_conc = DependentlySizedUnsignedList(dep='n_states',
default=1)
def __init__(self, *args, n_states=2, **kwargs):
super().__init__(*args, **kwargs)
self.n_states = n_states
self._parameter_names += [
'adsorption_rate', 'desorption_rate', 'characteristic_charge',
'steric_factor', 'capacity', 'reference_liquid_phase_conc',
'reference_solid_phase_conc'
]
class SelfAssociation(BindingBaseClass):
"""Self Association adsoprtion isotherm.
Attributes
----------
adsorption_rate : Parameter
Adsorption rate constants.
adsorption_rate_dimerization : Parameter
Adsorption rate constants of dimerization.
desorption_rate : Parameter
Desorption rate constants.
characteristic_charge : Parameter
The characteristic charge v of the protein.
steric_factor : Parameter
Steric factor of of the protein.
capacity : Parameter
Stationary phase capacity (monovalent salt counterions); The total
number of binding sites available on the resin surface.
reference_liquid_phase_conc : Parmater
Reference liquid phase concentration (optional, default value = 1.0).
reference_solid_phase_conc : Parmater
Reference liquid phase concentration (optional, default value = 1.0).
"""
adsorption_rate = DependentlySizedUnsignedList(dep='n_comp')
adsorption_rate_dimerization = DependentlySizedUnsignedList(dep='n_comp')
desorption_rate = DependentlySizedUnsignedList(dep='n_comp')
characteristic_charge = DependentlySizedUnsignedList(dep='n_comp')
steric_factor = DependentlySizedUnsignedList(dep='n_comp')
capacity = DependentlySizedUnsignedList(dep='n_comp')
reference_liquid_phase_conc = DependentlySizedUnsignedList(dep='n_comp')
reference_solid_phase_conc = DependentlySizedUnsignedList(dep='n_comp')
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._parameter_names += [
'adsorption_rate', 'adsorption_rate_dimerization',
'desorption_rate', 'characteristic_charge', 'steric_factor',
'capacity', 'reference_liquid_phase_conc',
'reference_solid_phase_conc'
]
class TubularReactor(UnitBaseClass):
"""Class for tubular reactors.
Class can be used for a regular tubular reactor. Also serves as parent for
other tubular models like the GRM by providing methods for calculating
geometric properties such as the cross section area and volume, as well as
methods for convective and dispersive properties like mean residence time
or NTP.
Notes
-----
For subclassing, check that the total porosity and interstitial cross
section area are computed correctly depending on the model porosities!
Attributes
----------
length : UnsignedFloat
Length of column.
diameter : UnsignedFloat
Diameter of column.
axial_dispersion : UnsignedFloat
Dispersion rate of compnents in axial direction.
c : List of unsinged floats. Length depends on n_comp
Initial concentration of the reactor.
"""
supports_bulk_reaction = True
length = UnsignedFloat(default=0)
diameter = UnsignedFloat(default=0)
axial_dispersion = UnsignedFloat()
total_porosity = 1
flow_direction = Switch(valid=[-1, 1], default=1)
_parameter_names = UnitBaseClass._parameter_names + [
'length', 'diameter', 'axial_dispersion', 'flow_direction'
]
_section_dependent_parameters = UnitBaseClass._section_dependent_parameters + [
'axial_dispersion', 'flow_direction'
]
c = DependentlySizedUnsignedList(dep='n_comp', default=0)
_initial_state = UnitBaseClass._initial_state + ['c']
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._discretization = LRMDiscretizationFV()
@property
def cross_section_area(self):
"""float: Cross section area of a Column.
See also
--------
volume
cross_section_area_interstitial
cross_section_area_liquid
cross_section_area_solid
"""
return math.pi / 4 * self.diameter**2
@cross_section_area.setter
def cross_section_area(self, cross_section_area):
self.diameter = (4 * cross_section_area / math.pi)**0.5
def set_diameter_from_interstitial_velicity(self, Q, u0):
"""Set diamter from flow rate and interstitial velocity.
In literature, often only the interstitial velocity is given.
This method, the diameter / cross section area can be inferred from
the flow rate, velocity, and porosity.
Parameters
----------
Q : float
Volumetric flow rate.
u0 : float
Interstitial velocity.
Notes
-----
Needs to be overwritten depending on the model porosities!
"""
self.cross_section_area = Q / (u0 * self.total_porosity)
@property
def cross_section_area_interstitial(self):
"""float: Interstitial area between particles.
Notes
-----
Needs to be overwritten depending on the model porosities!
See also
--------
cross_section_area
cross_section_area_liquid
cross_section_area_solid
"""
return self.total_porosity * self.cross_section_area
@property
def cross_section_area_liquid(self):
"""float: Liquid fraction of column cross section area.
See also
--------
cross_section_area
cross_section_area_interstitial
cross_section_area_solid
volume
"""
return self.total_porosity * self.cross_section_area
@property
def cross_section_area_solid(self):
"""float: Liquid fraction of column cross section area.
See also
--------
cross_section_area
cross_section_area_interstitial
cross_section_area_liquid
"""
return (1 - self.total_porosity) * self.cross_section_area
@property
def volume(self):
"""float: Volume of the TubularReactor.
See also
--------
cross_section_area
"""
return self.cross_section_area * self.length
@property
def volume_interstitial(self):
"""float: Interstitial volume between particles.
See also
--------
cross_section_area
"""
return self.cross_section_area_interstitial * self.length
@property
def volume_liquid(self):
"""float: Volume of the liquid phase.
"""
return self.cross_section_area_liquid * self.length
@property
def volume_solid(self):
"""float: Volume of the solid phase.
"""
return self.cross_section_area_solid * self.length
def t0(self, flow_rate):
"""Mean residence time of a (non adsorbing) volume element.
Parameters
----------
flow_rate : float
volumetric flow rate
Returns
-------
t0 : float
Mean residence time
See also
--------
u0
"""
return self.volume_interstitial / flow_rate
def u0(self, flow_rate):
"""Flow velocity of a (non adsorbint) volume element.
Parameters
----------
flow_rate : float
volumetric flow rate
Returns
-------
u0 : float
interstitial flow velocity
See also
--------
t0
NTP
"""
return self.length / self.t0(flow_rate)
def NTP(self, flow_rate):
"""Number of theoretical plates.
Parameters
----------
flow_rate : float
volumetric flow rate
Calculated using the axial dispersion coefficient:
:math: NTP = \frac{u \cdot L_{Column}}{2 \cdot D_a}
Returns
-------
NTP : float
Number of theretical plates
"""
return self.u0(flow_rate) * self.length / (2 * self.axial_dispersion)
def set_axial_dispersion_from_NTP(self, NTP, flow_rate):
"""
Parameters
----------
NTP : float
Number of theroetical plates
flow_rate : float
volumetric flow rate
Calculated using the axial dispersion coefficient:
:math: NTP = \frac{u \cdot L_{Column}}{2 \cdot D_a}
Returns
-------
NTP : float
Number of theretical plates
See also
--------
u0
NTP
"""
self.axial_dispersion = self.u0(flow_rate) * self.length / (2 * NTP)
class SimplifiedMultistateSteric_Mass_Action(BindingBaseClass):
""" Simplified multistate Steric Mass Action adsoprtion isotherm.
Attributes
----------
adsorption_rate :Parameter
Adsorption rate constants of the components to different bound states
in component-major ordering.
desorption_rate : Parameter
Desorption rate constants of the components to different bound states
in component-major ordering.
characteristic_charge_first : Parameter
Characteristic charges of the components in the first (weakest) bound
state.
characteristic_charge_last : Parameter
Characteristic charges of the components in the last (strongest) bound
state.
quadratic_modifiers_charge : Parameter
Quadratic modifiers of the characteristic charges of the different
components depending on the index of the bound state.
steric_factor_first : Parameter
Steric factor of the components in the first (weakest) bound state.
steric_factor_last : Parameter
Steric factor of the components in the last (strongest) bound state.
quadratic_modifiers_steric : Parameter
Quadratic modifiers of the sterif factors of the different components
depending on the index of the bound state.
capacity : Parameter
Stationary phase capacity (monovalent salt counterions): The total
number of binding sites available on the resin surface.
exchange_from_weak_stronger : Parameter
Exchangde rated from a weakly bound state to the next stronger bound
state.
linear_exchange_ws : Parameter
Linear exchange rate coefficients from a weakly bound state to the next
stronger bound state.
quadratic_exchange_ws : Parameter
Quadratic exchange rate coefficients from a weakly bound state to the
next stronger bound state.
exchange_from_stronger_weak : Parameter
Exchange rate coefficients from a strongly bound state to the next
weaker bound state.
linear_exchange_sw : Parameter
Linear exchange rate coefficients from a strongly bound state to the
next weaker bound state.
quadratic_exchange_sw : Parameter
Quadratic exchange rate coefficients from a strongly bound state to the
next weaker bound state.
reference_liquid_phase_conc : Parameter
Reference liquid phase concentration (optional, default value = 1.0).
reference_solid_phase_conc : Parameter
Reference solid phase concentration (optional, default value = 1.0).
"""
adsorption_rate = DependentlySizedUnsignedList(dep='n_comp')
desorption_rate = DependentlySizedUnsignedList(dep='n_comp')
characteristic_charge_first = DependentlySizedUnsignedList(dep='n_comp')
characteristic_charge_last = DependentlySizedUnsignedList(dep='n_comp')
quadratic_modifiers_charge = DependentlySizedUnsignedList(dep='n_comp')
steric_factor_first = DependentlySizedUnsignedList(dep='n_comp')
steric_factor_last = DependentlySizedUnsignedList(dep='n_comp')
quadratic_modifiers_steric = DependentlySizedUnsignedList(dep='n_comp')
capacity = DependentlySizedUnsignedList(dep='n_comp')
exchange_from_weak_stronger = DependentlySizedUnsignedList(dep='n_comp')
linear_exchange_ws = DependentlySizedUnsignedList(dep='n_comp')
quadratic_exchange_ws = DependentlySizedUnsignedList(dep='n_comp')
exchange_from_stronger_weak = DependentlySizedUnsignedList(dep='n_comp')
linear_exchange_sw = DependentlySizedUnsignedList(dep='n_comp')
quadratic_exchange_sw = DependentlySizedUnsignedList(dep='n_comp')
reference_liquid_phase_conc = DependentlySizedUnsignedList(dep='n_comp')
reference_solid_phase_conc = DependentlySizedUnsignedList(dep='n_comp')
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._parameter_names += [
'adsorption_rate', 'desorption_rate',
'characteristic_charge_first', 'characteristic_charge_last',
'quadratic_modifiers_charge', 'steric_factor_first',
'steric_factor_last', 'quadratic_modifiers_steric', 'capacity',
'exchange_from_weak_stronger', 'linear_exchange_ws',
'quadratic_exchange_ws', 'exchange_from_stronger_weak',
'linear_exchange_sw', 'quadratic_exchange_sw',
'reference_liquid_phase_conc', 'reference_solid_phase_conc'
]
class GeneralRateModel(TubularReactor):
"""Parameters for the general rate model.
Attributes
----------
bed_porosity : UnsignedFloat between 0 and 1.
Porosity of the bed
particle_porosity : UnsignedFloat between 0 and 1.
Porosity of particles.
particle_radius : UnsignedFloat
Radius of the particles.
pore_diffusion : List of unsinged floats. Length depends on n_comp.
Diffusion rate for components in pore volume.
surface_diffusion : List of unsinged floats. Length depends on n_comp.
Diffusion rate for components in adsrobed state.
pore_accessibility : List of unsinged floats. Length depends on n_comp.
Accessibility of pores for components.
cp : List of unsinged floats. Length depends on n_comp
Initial concentration of the pores
q : List of unsinged floats. Length depends on n_comp
Initial concntration of the bound phase.
"""
supports_bulk_reaction = True
supports_particle_reaction = True
bed_porosity = UnsignedFloat(ub=1)
particle_porosity = UnsignedFloat(ub=1)
particle_radius = UnsignedFloat()
film_diffusion = DependentlySizedUnsignedList(dep='n_comp')
pore_diffusion = DependentlySizedUnsignedList(dep='n_comp')
surface_diffusion = DependentlySizedUnsignedList(dep=('n_comp',
'_n_bound_states'))
pore_accessibility = DependentlySizedUnsignedList(dep='n_comp')
_parameters = \
TubularReactor._parameter_names + \
['bed_porosity', 'particle_porosity', 'particle_radius',
'film_diffusion', 'pore_diffusion', 'surface_diffusion']
_section_dependent_parameters = \
TubularReactor._section_dependent_parameters + \
['film_diffusion', 'pore_diffusion', 'surface_diffusion']
_cp = DependentlySizedUnsignedList(dep='n_comp')
q = DependentlySizedUnsignedList(dep=('n_comp', '_n_bound_states'),
default=0)
_initial_state = TubularReactor._initial_state + ['cp', 'q']
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
self._discretization = GRMDiscretizationFV()
@property
def total_porosity(self):
"""float: Total porosity of the column
"""
return self.bed_porosity + \
(1 - self.bed_porosity) * self.particle_porosity
@property
def cross_section_area_interstitial(self):
"""float: Interstitial area between particles.
See also
--------
cross_section_area
cross_section_area_liquid
cross_section_area_solid
"""
return self.bed_porosity * self.cross_section_area
def set_diameter_from_interstitial_velicity(self, Q, u0):
"""Set diamter from flow rate and interstitial velocity.
In literature, often only the interstitial velocity is given.
This method, the diameter / cross section area can be inferred from
the flow rate, velocity, and bed porosity.
Parameters
----------
Q : float
Volumetric flow rate.
u0 : float
Interstitial velocity.
Notes
-----
Overwrites parent method.
"""
self.cross_section_area = Q / (u0 * self.bed_porosity)
@property
def cp(self):
if self._cp is None:
return self.c
@cp.setter
def cp(self, cp):
self._cp = cp
class Cstr(UnitBaseClass, SourceMixin, SinkMixin):
"""Parameters for an ideal mixer.
Parameters
----------
c : List of unsinged floats. Length depends on n_comp
Initial concentration of the reactor.
q : List of unsinged floats. Length depends on n_comp
Initial concentration of the bound phase.
V : Unsinged float
Initial volume of the reactor.
total_porosity : UnsignedFloat between 0 and 1.
Total porosity of the column.
flow_rate_filter: np.Array
Flow rate of pure liquid without components to reduce volume.
"""
supports_bulk_reaction = True
supports_particle_reaction = True
porosity = UnsignedFloat(ub=1, default=1)
flow_rate_filter = Polynomial(dep=('_n_poly_coeffs'), default=0)
_parameter_names = \
UnitBaseClass._parameter_names + \
SourceMixin._parameter_names + \
['porosity', 'flow_rate_filter']
_section_dependent_parameters = \
UnitBaseClass._section_dependent_parameters + \
SourceMixin._section_dependent_parameters + \
['flow_rate_filter']
_polynomial_parameters = \
UnitBaseClass._polynomial_parameters + \
SourceMixin._polynomial_parameters + \
['flow_rate_filter']
c = DependentlySizedUnsignedList(dep='n_comp', default=0)
q = DependentlySizedUnsignedList(dep=('n_comp', '_n_bound_states'),
default=0)
V = UnsignedFloat(default=0)
volume = V
_initial_state = \
UnitBaseClass._initial_state + \
['c', 'q', 'V']
@property
def volume_liquid(self):
"""float: Volume of the liquid phase.
"""
return self.porosity * self.V
@property
def volume_solid(self):
"""float: Volume of the solid phase.
"""
return (1 - self.porosity) * self.V
def t0(self, flow_rate):
"""Mean residence time of a (non adsorbing) volume element.
Parameters
----------
flow_rate : float
volumetric flow rate
Returns
-------
t0 : float
Mean residence time
See also
--------
u0
"""
return self.volume_liquid / flow_rate
