Beispiel #1
0
    def create_cstr(self):
        cstr = Cstr(self.component_system, name='test')

        cstr.porosity = total_porosity
        cstr.V = volume

        cstr.flow_rate = 1

        return cstr
Beispiel #2
0
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()