sys.add_connection(z1, z2)
sys.add_connection(z2, z3)
sys.add_connection(z3, z0)
f_42 = 1.4e-7
f_45 = 7.66e-7
w_r = f_42 / (f_42 + f_45)
f_63 = 1.54e-7
f_67 = 8.08e-7
w_e = f_63 / (f_63 + f_67)
sys.set_output_state(z0, [w_r, 1 - w_r])
sys.set_output_state(z2, [w_e, 1 - w_e])
sys.switch_time = 180
fs = sys.build_flow_sheet()
proc = sys.build_process()
from CADETProcess.simulation import Cadet
process_simulator = Cadet(
cadet_bin_path='/home/jo/software/cadet/cadet4.2.0/bin/',
temp_dir='/dev/shm')
process_simulator.evaluate_stationarity = True
process_simulator.n_cycles = 1
process_simulator.solver_parameters.NTHREADS = 1
proc_results = process_simulator.simulate(proc, file_path='new.h5')
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,
ssr_binary.process_meta,
purity_required=0.95)
ssr_binary_frac.save(case_dir)
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()