def create_cstr(self):
cstr = Cstr(self.component_system, name='test')
cstr.porosity = total_porosity
cstr.V = volume
cstr.flow_rate = 1
return cstr
def create_ssr_flow_sheet(self):
flow_sheet = FlowSheet(self.component_system)
feed = Source(self.component_system, name='feed')
eluent = Source(self.component_system, name='eluent')
cstr = Cstr(self.component_system, name='cstr')
column = LumpedRateModelWithoutPores(self.component_system, name='column')
outlet = Sink(self.component_system, name='outlet')
flow_sheet.add_unit(feed)
flow_sheet.add_unit(eluent)
flow_sheet.add_unit(cstr)
flow_sheet.add_unit(column)
flow_sheet.add_unit(outlet)
flow_sheet.add_connection(feed, cstr)
flow_sheet.add_connection(cstr, column)
flow_sheet.add_connection(eluent, column)
flow_sheet.add_connection(column, cstr)
flow_sheet.add_connection(column, outlet)
flow_sheet.add_eluent_source(eluent)
flow_sheet.add_feed_source(feed)
flow_sheet.add_chromatogram_sink(outlet)
return flow_sheet
def __init__(self,
n_comp,
name,
n_columns=1,
flow_direction=1,
initial_state=None,
*args,
**kwargs):
self.n_columns = n_columns
self.flow_direction = flow_direction
self.initial_state = initial_state
self._inlet_unit = Cstr(n_comp, f'{name}_inlet')
self._inlet_unit.V = 1e-6
self._outlet_unit = Cstr(n_comp, f'{name}_outlet')
self._outlet_unit.V = 1e-6
super().__init__(n_comp, name, *args, **kwargs)
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 outlet = Sink(n_comp=2, name='outlet') # flow sheet fs = FlowSheet(n_comp=2, name=flow_sheet_name)
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()