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 create_clr_flow_sheet(self):
flow_sheet = FlowSheet(n_comp=2, name='test')
feed = Source(n_comp=2, name='feed')
column = LumpedRateModelWithoutPores(n_comp=2, name='column')
outlet = Sink(n_comp=2, name='outlet')
flow_sheet.add_unit(feed)
flow_sheet.add_unit(column)
flow_sheet.add_unit(outlet)
flow_sheet.add_connection(feed, column)
flow_sheet.add_connection(column, outlet)
flow_sheet.add_connection(column, column)
return flow_sheet
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)
fs.add_unit(feed, feed_source=True)
fs.add_unit(eluent, eluent_source=True)
fs.add_unit(tank)
fs.add_unit(column)
fs.add_unit(outlet, chromatogram_sink=True)
fs.add_connection(feed, tank)
fs.add_connection(tank, column)
fs.add_connection(eluent, column)
fs.add_connection(column, tank)
fs.add_connection(column, outlet)
# Process
ssr_binary = Process(fs, name=process_name)
Q = 60 / (60 * 1e6)
# Create Events and Durations
ssr_binary.add_event('feed_on', 'flow_sheet.feed.flow_rate', Q)
ssr_binary.add_event('feed_off', 'flow_sheet.feed.flow_rate', 0.0)
ssr_binary.add_duration('feed_duration', 'feed_on', 'feed_off')
ssr_binary.add_event('inject_on', 'flow_sheet.tank.flow_rate', Q)
column.c = [180, 0]
column.q = [binding_model.capacity, 0]
outlet = Sink(component_system, name='outlet')
# flow sheet
fs = FlowSheet(component_system)
fs.add_unit(feed, feed_source=True)
fs.add_unit(eluent, eluent_source=True)
fs.add_unit(eluent_salt, eluent_source=True)
fs.add_unit(column)
fs.add_unit(outlet, chromatogram_sink=True)
fs.add_connection(feed, column)
fs.add_connection(eluent, column)
fs.add_connection(eluent_salt, column)
fs.add_connection(column, outlet)
# Process
lwe = Process(fs, 'lwe')
lwe.cycle_time = 15000.0
## Create Events and Durations
Q = 2.88e-8
feed_duration = 7500.0
gradient_start = 9500.0
gradient_slope = Q / (lwe.cycle_time - gradient_start)
lwe.add_event('feed_on', 'flow_sheet.feed.flow_rate', Q)
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()
column.axial_dispersion = 4.7e-7
column.total_porosity = 0.7
column.binding_model = binding_model
outlet = Sink(n_comp=3, name='outlet')
# flow sheet
fs = FlowSheet(n_comp=3, name=flow_sheet_name)
fs.add_unit(feed, feed_source=True)
fs.add_unit(eluent, eluent_source=True)
fs.add_unit(column)
fs.add_unit(outlet, chromatogram_sink=True)
fs.add_connection(feed, column)
fs.add_connection(eluent, column)
fs.add_connection(column, outlet)
# Process
batch_long_ternary = Process(fs, name=process_name)
Q = 60 / (60 * 1e6)
# Create Events and Durations
batch_long_ternary.add_event('feed_on', 'flow_sheet.feed.flow_rate', Q)
batch_long_ternary.add_event('feed_off', 'flow_sheet.feed.flow_rate', 0.0)
batch_long_ternary.add_duration('feed_duration', 'feed_on', 'feed_off')
batch_long_ternary.add_event('eluent_on', 'flow_sheet.eluent.flow_rate', Q)
batch_long_ternary.add_event('eluent_off', 'flow_sheet.eluent.flow_rate', 0.0)
outlet_1 = Sink(n_comp=3, name='outlet_1')
outlet_2 = Sink(n_comp=3, name='outlet_2')
# flow sheet
fs = FlowSheet(n_comp=3, name=flow_sheet_name)
fs.add_unit(feed, feed_source=True)
fs.add_unit(eluent_1, eluent_source=True)
fs.add_unit(eluent_2, eluent_source=True)
fs.add_unit(column_1)
fs.add_unit(column_2)
fs.add_unit(outlet_1, chromatogram_sink=True)
fs.add_unit(outlet_2, chromatogram_sink=True)
fs.add_connection(feed, column_1)
fs.add_connection(eluent_1, column_1)
fs.add_connection(column_1, outlet_1)
fs.add_connection(column_1, column_2)
fs.add_connection(eluent_2, column_2)
fs.add_connection(column_2, outlet_2)
# Process
serial_ternary = Process(fs, name=process_name)
Q = 60 / (60 * 1e6)
# Create Events and Durations
serial_ternary.add_event('feed_on', 'flow_sheet.feed.flow_rate', Q)
serial_ternary.add_event('feed_off', 'flow_sheet.feed.flow_rate', 0.0)
serial_ternary.add_duration('feed_duration', 'feed_on', 'feed_off')