ssr_binary.add_event_dependency('eluent_on', ['inject_off'])
ssr_binary.add_event('eluent_off', 'flow_sheet.eluent.flow_rate', 0.0)
ssr_binary.add_event_dependency('eluent_off', ['inject_on'])
ssr_binary.add_event('recycle_on', 'flow_sheet.column.output_state', 0)
ssr_binary.add_event('recycle_off', 'flow_sheet.column.output_state', 1)
ssr_binary.add_event_dependency('feed_on', ['inject_off'])
ssr_binary.add_event_dependency('feed_off', ['feed_on', 'feed_duration'],
[1, 1])
ssr_binary.add_event_dependency(
'inject_off', ['inject_on', 'feed_duration', 'recycle_off', 'recycle_on'],
[1, 1, 1, -1])
# Set process times
ssr_binary.cycle_time = 191.11
ssr_binary.feed_duration.time = 42.956
ssr_binary.recycle_on.time = 354.081
ssr_binary.recycle_off.time = 358.552
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.evaluate_stationarity = True
process_simulator.n_cycles_min = 4
ssr_binary_sim_results = process_simulator.simulate(ssr_binary)
ssr_binary_sim_results.save(case_dir)
from CADETProcess.fractionation import optimize_fractionation
ssr_binary_frac = optimize_fractionation(
ssr_binary_sim_results.chromatograms,
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()
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)
lwe.add_event('feed_off', 'flow_sheet.feed.flow_rate', 0.0)
lwe.add_duration('feed_duration', time=feed_duration)
lwe.add_event_dependency('feed_off', ['feed_on', 'feed_duration'], [1, 1])
lwe.add_event('eluent_initialization', 'flow_sheet.eluent.flow_rate', 0)
lwe.add_event('eluent_salt_initialization', 'flow_sheet.eluent_salt.flow_rate',
0)
## Create Events and Durations
Q = 60 / (60 * 1e6)
batch_binary.add_event('feed_on', 'flow_sheet.feed.flow_rate', Q)
batch_binary.add_event('feed_off', 'flow_sheet.feed.flow_rate', 0.0)
batch_binary.add_duration('feed_duration')
batch_binary.add_event('eluent_on', 'flow_sheet.eluent.flow_rate', Q)
batch_binary.add_event('eluent_off', 'flow_sheet.eluent.flow_rate', 0.0)
batch_binary.add_event_dependency('eluent_on', ['feed_off'])
batch_binary.add_event_dependency('eluent_off', ['feed_on'])
batch_binary.add_event_dependency('feed_off', ['feed_on', 'feed_duration'],
[1, 1])
## Set process times
batch_binary.cycle_time = 176.45
batch_binary.feed_duration.time = 51.95
x = [374.4299005082142, 118.65641374452873]
batch_binary.cycle_time = x[0]
batch_binary.feed_duration.time = x[1]
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.evaluate_stationarity = False
process_simulator.n_cycles = 4
batch_binary_sim_results = process_simulator.simulate(batch_binary)
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)
batch_long_ternary.add_event_dependency('eluent_on', ['feed_off'])
batch_long_ternary.add_event_dependency('eluent_off', ['feed_on'])
batch_long_ternary.add_event_dependency('feed_off',
['feed_on', 'feed_duration'], [1, 1])
batch_long_ternary.cycle_time = 135.134
batch_long_ternary.feed_duration.time = 16.268
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.evaluate_stationarity = True
batch_long_ternary_sim_results = process_simulator.simulate(
batch_long_ternary)
batch_long_ternary_sim_results.save(case_dir)
from CADETProcess.fractionation import optimize_fractionation
batch_long_ternary_frac = optimize_fractionation(
batch_long_ternary_sim_results.chromatograms,
batch_long_ternary.process_meta,
ssr_binary.add_event_dependency('eluent_on', ['inject_off'])
ssr_binary.add_event('eluent_off', 'flow_sheet.eluent.flow_rate', 0.0)
ssr_binary.add_event_dependency('eluent_off', ['inject_on'])
ssr_binary.add_event('recycle_on', 'flow_sheet.column.output_state', 0)
ssr_binary.add_event('recycle_off', 'flow_sheet.column.output_state', 1)
ssr_binary.add_event_dependency('feed_on', ['inject_off'])
ssr_binary.add_event_dependency('feed_off', ['feed_on', 'feed_duration'],
[1, 1])
ssr_binary.add_event_dependency(
'inject_off', ['inject_on', 'feed_duration', 'recycle_off', 'recycle_on'],
[1, 1, 1, -1])
# Set process times
ssr_binary.cycle_time = 600
ssr_binary.feed_duration.time = 60
ssr_binary.recycle_on.time = 360
ssr_binary.recycle_off.time = 420
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.evaluate_stationarity = True
x_min = 0
ssr_binary_sim_results = process_simulator.simulate(ssr_binary)
ssr_binary_sim_results.save(start=x_min, case_dir=case_dir)
from CADETProcess.fractionation import optimize_fractionation
ssr_binary_frac = optimize_fractionation(
ssr_binary.add_event_dependency('eluent_on', ['inject_off'])
ssr_binary.add_event('eluent_off', 'flow_sheet.eluent.flow_rate', 0.0)
ssr_binary.add_event_dependency('eluent_off', ['inject_on'])
ssr_binary.add_event('recycle_on', 'flow_sheet.column.output_state', 0)
ssr_binary.add_event('recycle_off', 'flow_sheet.column.output_state', 1)
ssr_binary.add_event_dependency('feed_on', ['inject_off'])
ssr_binary.add_event_dependency('feed_off', ['feed_on', 'feed_duration'],
[1, 1])
ssr_binary.add_event_dependency(
'inject_off', ['inject_on', 'feed_duration', 'recycle_off', 'recycle_on'],
[1, 1, 1, -1])
# Set process times
ssr_binary.cycle_time = 195.472
ssr_binary.feed_duration.time = 36.136
ssr_binary.recycle_on.time = 360.395
ssr_binary.recycle_off.time = 366.771
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.evaluate_stationarity = True
ssr_binary_sim_results = process_simulator.simulate(ssr_binary)
ssr_binary_sim_results.save(case_dir)
from CADETProcess.fractionation import optimize_fractionation
ssr_binary_frac = optimize_fractionation(
ssr_binary_sim_results.chromatograms,
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)
batch_long_ternary.add_event_dependency('eluent_on', ['feed_off'])
batch_long_ternary.add_event_dependency('eluent_off', ['feed_on'])
batch_long_ternary.add_event_dependency('feed_off', ['feed_on', 'feed_duration'], [1,1])
batch_long_ternary.cycle_time = 113.48
batch_long_ternary.feed_duration.time = 31.668
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.evaluate_stationarity = True
batch_long_ternary_sim_results = process_simulator.simulate(batch_long_ternary)
batch_long_ternary_sim_results.save(case_dir)
from CADETProcess.fractionation import optimize_fractionation
batch_long_ternary_frac = optimize_fractionation(
batch_long_ternary_sim_results.chromatograms,
batch_long_ternary.process_meta,
ssr_binary.add_event_dependency('eluent_on', ['inject_off'])
ssr_binary.add_event('eluent_off', 'flow_sheet.eluent.flow_rate', 0.0)
ssr_binary.add_event_dependency('eluent_off', ['inject_on'])
ssr_binary.add_event('recycle_on', 'flow_sheet.column.output_state', 0)
ssr_binary.add_event('recycle_off', 'flow_sheet.column.output_state', 1)
ssr_binary.add_event_dependency('feed_on', ['inject_off'])
ssr_binary.add_event_dependency('feed_off', ['feed_on', 'feed_duration'],
[1, 1])
ssr_binary.add_event_dependency(
'inject_off', ['inject_on', 'feed_duration', 'recycle_off', 'recycle_on'],
[1, 1, 1, -1])
# Set process times
ssr_binary.cycle_time = 182.236
ssr_binary.feed_duration.time = 56.904
ssr_binary.recycle_on.time = 359.39
ssr_binary.recycle_off.time = 361.313
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.evaluate_stationarity = True
ssr_binary_sim_results = process_simulator.simulate(ssr_binary)
ssr_binary_sim_results.save(case_dir)
from CADETProcess.fractionation import optimize_fractionation
ssr_binary_frac = optimize_fractionation(
ssr_binary_sim_results.chromatograms,
Q = 60 / (60 * 1e6)
# Create Events and Durations
batch_ternary.add_event('feed_on', 'flow_sheet.feed.flow_rate', Q)
batch_ternary.add_event('feed_off', 'flow_sheet.feed.flow_rate', 0.0)
batch_ternary.add_duration('feed_duration', 'feed_on', 'feed_off')
batch_ternary.add_event('eluent_on', 'flow_sheet.eluent.flow_rate', Q)
batch_ternary.add_event('eluent_off', 'flow_sheet.eluent.flow_rate', 0.0)
batch_ternary.add_event_dependency('eluent_on', ['feed_off'])
batch_ternary.add_event_dependency('eluent_off', ['feed_on'])
batch_ternary.add_event_dependency('feed_off', ['feed_on', 'feed_duration'],
[1, 1])
batch_ternary.cycle_time = 600
batch_ternary.feed_duration.time = 60
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.n_cycles = 1
batch_ternary_sim_results = process_simulator.simulate(batch_ternary)
from CADETProcess.fractionation import optimize_fractionation
batch_ternary_frac = optimize_fractionation(
batch_ternary_sim_results.chromatograms,
batch_ternary.process_meta,
purity_required=0.95)
batch_ternary_frac.save(case_dir, start=2.5)
# Create Events and Durations
batch_binary.add_event('feed_on', 'flow_sheet.feed.flow_rate', Q)
batch_binary.add_event('feed_off', 'flow_sheet.feed.flow_rate', 0.0)
batch_binary.add_duration('feed_duration', 'feed_on', 'feed_off')
batch_binary.add_event('eluent_on', 'flow_sheet.eluent.flow_rate', Q)
batch_binary.add_event('eluent_off', 'flow_sheet.eluent.flow_rate', 0.0)
batch_binary.add_event_dependency('eluent_on', ['feed_off'])
batch_binary.add_event_dependency('eluent_off', ['feed_on'])
batch_binary.add_event_dependency('feed_off', ['feed_on', 'feed_duration'],
[1, 1])
# Set process times
batch_binary.cycle_time = 192.163
batch_binary.feed_duration.time = 46.463
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.evaluate_stationarity = True
batch_binary_sim_results = process_simulator.simulate(batch_binary)
batch_binary_sim_results.save(case_dir)
from CADETProcess.fractionation import optimize_fractionation
batch_binary_frac = optimize_fractionation(
batch_binary_sim_results.chromatograms,
batch_binary.process_meta,
purity_required=0.95)
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)
batch_long_ternary.add_event_dependency('eluent_on', ['feed_off'])
batch_long_ternary.add_event_dependency('eluent_off', ['feed_on'])
batch_long_ternary.add_event_dependency('feed_off', ['feed_on', 'feed_duration'], [1,1])
batch_long_ternary.cycle_time = 449.176
batch_long_ternary.feed_duration.time = 66.753
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.evaluate_stationarity = True
batch_long_ternary_sim_results = process_simulator.simulate(batch_long_ternary)
batch_long_ternary_sim_results.save(case_dir)
from CADETProcess.fractionation import optimize_fractionation
batch_long_ternary_frac = optimize_fractionation(
batch_long_ternary_sim_results.chromatograms,
batch_long_ternary.process_meta,
ssr_binary.add_event_dependency('eluent_on', ['inject_off'])
ssr_binary.add_event('eluent_off', 'flow_sheet.eluent.flow_rate', 0.0)
ssr_binary.add_event_dependency('eluent_off', ['inject_on'])
ssr_binary.add_event('recycle_on', 'flow_sheet.column.output_state', 0)
ssr_binary.add_event('recycle_off', 'flow_sheet.column.output_state', 1)
ssr_binary.add_event_dependency('feed_on', ['inject_off'])
ssr_binary.add_event_dependency('feed_off', ['feed_on', 'feed_duration'],
[1, 1])
ssr_binary.add_event_dependency(
'inject_off', ['inject_on', 'feed_duration', 'recycle_off', 'recycle_on'],
[1, 1, 1, -1])
# Set process times
ssr_binary.cycle_time = 404.967
ssr_binary.feed_duration.time = 48.131
ssr_binary.recycle_on.time = 355.32
ssr_binary.recycle_off.time = 575.315
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.evaluate_stationarity = True
ssr_binary_sim_results = process_simulator.simulate(ssr_binary)
ssr_binary_sim_results.save(case_dir)
from CADETProcess.fractionation import optimize_fractionation
ssr_binary_frac = optimize_fractionation(
ssr_binary_sim_results.chromatograms,
serial_ternary.add_event_dependency('eluent_1_on', ['feed_off'], [1])
serial_ternary.add_event_dependency('eluent_1_off', ['feed_on'], [1])
serial_ternary.add_event_dependency('feed_off', ['feed_on', 'feed_duration'],
[1, 1])
serial_ternary.add_event('serial_on', 'flow_sheet.column_1.output_state', 1)
serial_ternary.add_event('serial_off', 'flow_sheet.column_1.output_state', 0)
serial_ternary.add_event('eluent_2_on', 'flow_sheet.eluent_2.flow_rate', Q)
serial_ternary.add_event('eluent_2_off', 'flow_sheet.eluent_2.flow_rate', 0.0)
serial_ternary.add_event_dependency('eluent_2_on', ['serial_off'], [1])
serial_ternary.add_event_dependency('eluent_2_off', ['serial_on'], [1])
# Set process times
serial_ternary.cycle_time = 210.121
serial_ternary.feed_duration.time = 45.859
serial_ternary.serial_on.time = 119.017
serial_ternary.serial_off.time = 47.634
if __name__ == '__main__':
from CADETProcess.simulation import Cadet
process_simulator = Cadet()
process_simulator.evaluate_stationarity = True
serial_ternary_sim_results = process_simulator.simulate(serial_ternary)
serial_ternary_sim_results.save(case_dir)
from CADETProcess.fractionation import optimize_fractionation
serial_ternary_frac = optimize_fractionation(
serial_ternary_sim_results.chromatograms,