from CADETProcess.processModel import Source, Column, Cstr, Sink from CADETProcess.processModel import FlowSheet from CADETProcess.processModel import Process process_name = flow_sheet_name = 'ssr_binary' case_dir = 'case_3a' # Binding Model binding_model = Langmuir(n_comp=2, name='langmuir') binding_model.adsorption_rate = [0.02, 0.03] binding_model.desorption_rate = [1, 1] binding_model.saturation_capacity = [100, 100] # Unit Operations feed = Source(n_comp=2, name='feed') feed.c = [10, 10] eluent = Source(n_comp=2, name='eluent') eluent.c = [0, 0] tank = Cstr(n_comp=2, name='tank') tank.V = 0.001 tank.c = [10, 10] column = Column(n_comp=2, name='column') column.length = 0.6 column.diameter = 0.024 column.axial_dispersion = 2.4e-6 column.total_porosity = 0.7 column.binding_model = binding_model
class SerialZone(ZoneBaseClass):
pass
class ParallelZone(ZoneBaseClass):
pass
if __name__ == '__main__':
from CADETProcess.processModel import LumpedRateModelWithoutPores, Source, Sink
from CADETProcess.processModel import Linear
feed = Source(n_comp=2, name='feed')
feed.c = [0.003, 0.003]
feed.flow_rate = 0.98e-7
eluent = Source(n_comp=2, name='eluent')
eluent.c = [0, 0]
eluent.flow_rate = 1.96e-7
raffinate = Sink(n_comp=2, name='raffinate')
extract = Sink(n_comp=2, name='extract')
column = LumpedRateModelWithoutPores(n_comp=2, name='column')
column.length = 0.25
column.cross_section_area = 3.141592653589793E-4
column.axial_dispersion = 4.7e-7
column.total_porosity = 0.83
def simulate_solid_equilibria(binding_model,
buffer,
unit_model='cstr',
flush=None):
process_name = flow_sheet_name = 'initial_conditions'
component_system = binding_model.component_system
# Unit Operations
buffer_source = Source(component_system, name='buffer')
buffer_source.c = buffer
if flush is None:
flush = buffer
flush_source = Source(component_system, 'flush')
flush_source.c = flush
if unit_model == 'cstr':
unit = Cstr(component_system, 'cstr')
unit.porosity = 0.5
unit.V = 1e-6
Q = 1e-6
cycle_time = 1000 * unit.volume / Q
unit.flow_rate = Q
elif unit_model == 'column':
unit = LumpedRateModelWithoutPores(component_system, name='column')
unit.length = 0.1
unit.diameter = 0.01
unit.axial_dispersion = 1e-6
unit.total_porosity = 0.7
Q = 60 / (60 * 1e6)
cycle_time = 10 * unit.volume / Q
try:
q = binding_model.n_comp * binding_model.n_states * [0]
q[0] = binding_model.capacity
unit.q = q
except AttributeError:
pass
unit.binding_model = binding_model
outlet = Sink(component_system, name='outlet')
# flow sheet
fs = FlowSheet(component_system, name=flow_sheet_name)
fs.add_unit(buffer_source)
fs.add_unit(flush_source)
fs.add_unit(unit)
fs.add_unit(outlet, chromatogram_sink=True)
fs.add_connection(buffer_source, unit)
fs.add_connection(flush_source, unit)
fs.add_connection(unit, outlet)
# Process
proc = Process(fs, name=process_name)
proc.cycle_time = cycle_time
## Create Events and Durations
proc.add_event('buffer_on', 'flow_sheet.buffer.flow_rate', Q)
proc.add_event('buffer_off', 'flow_sheet.buffer.flow_rate', 0,
0.9 * cycle_time)
proc.add_event('eluent_off', 'flow_sheet.flush.flow_rate', 0.0, 0.0)
proc.add_event('eluent_on', 'flow_sheet.flush.flow_rate', Q,
0.9 * cycle_time)
# Simulator
process_simulator = Cadet()
process_simulator.unit_return_parameters.write_solution_bulk = True
process_simulator.unit_return_parameters.write_solution_solid = True
proc_results = process_simulator.simulate(proc)
if unit_model == 'cstr':
init_q = proc_results.solution[unit.name].solid.solution[-1, :]
elif unit_model == 'column':
init_q = proc_results.solution[unit.name].solid.solution[-1, 0, :]
return init_q.tolist()
component_system = ComponentSystem()
component_system.add_component('A')
component_system.add_component('B')
# Binding Model
binding_model = StericMassAction(component_system, name='SMA')
binding_model.is_kinetic = True
binding_model.adsorption_rate = [0.0, 0.3]
binding_model.desorption_rate = [0.0, 1.5]
binding_model.characteristic_charge = [0.0, 7.0]
binding_model.steric_factor = [0.0, 50.0]
binding_model.capacity = 225.0
# Unit Operations
feed = Source(component_system, name='feed')
feed.c = [180.0, 0.1]
eluent = Source(component_system, name='eluent')
eluent.c = [70.0, 0.0]
eluent_salt = Source(component_system, name='eluent_salt')
eluent_salt.c = [500.0, 0.0]
column = GeneralRateModel(component_system, name='column')
column.length = 0.25
column.diameter = 0.0115
column.bed_porosity = 0.37
column.particle_radius = 4.5e-5
column.particle_porosity = 0.33
column.axial_dispersion = 2.0e-7
column.film_diffusion = [2.0e-5, 2.0e-7]
from CADETProcess.processModel import Source, Column, Sink from CADETProcess.processModel import FlowSheet from CADETProcess.processModel import Process process_name = flow_sheet_name = 'serial_ternary' case_dir = 'case_4' # Binding Model binding_model = Langmuir(n_comp=3, name='langmuir') binding_model.adsorption_rate = [0.01, 0.015, 0.03] binding_model.desorption_rate = [1, 1, 1] binding_model.saturation_capacity = [100, 100, 200] # Unit Operations feed = Source(n_comp=3, name='feed') feed.c = [10, 10, 10] eluent_1 = Source(n_comp=3, name='eluent_1') eluent_1.c = [0, 0, 0] eluent_2 = Source(n_comp=3, name='eluent_2') eluent_2.c = [0, 0, 0] column_1 = Column(n_comp=3, name='column_1') column_1.length = 0.286 column_1.diameter = 0.024 column_1.axial_dispersion = 4.7e-7 column_1.total_porosity = 0.7 column_1.binding_model = binding_model