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 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()