more enhancements to PO-API

benchmark/acetic_acid_system.py

@@ -6,7 +6,11 @@
 """
 import biosteam as bst
 import numpy as np
-from .profile import register
+try:
+ from .profile import register
+except:
+ def register(*args, **kwargs):
+ return lambda f: f
 
 __all__ = (
  'create_acetic_acid_simple_system',
@@ -77,7 +81,7 @@ def fresh_solvent_flow_rate():
 
 @register(
  'acetic_acid_complex', 'Glacial acetic acid\npurification',
- 80, [0, 10, 20, 30, 40, 50, 60, 70, 80], 'AcOH\nsep.'
+ 60, [0, 10, 20, 30, 40, 50, 60], 'AcOH\nsep.'
 )
 def create_acetic_acid_complex_system(alg):
  thermo = bst.Thermo(['Water', 'AceticAcid', 'EthylAcetate'], cache=True)
@@ -169,6 +173,7 @@ def adjust_fresh_solvent_flow_rate():
  reflux=None,
  boilup=3,
  use_cache=True,
+ maxiter=10,
  )
  settler = bst.StageEquilibrium(
  'settler',
@@ -226,6 +231,7 @@ def adjust_fresh_solvent_flow_rate():
  feed_stages=(1, 2),
  reflux=1,
  boilup=2,
+ maxiter=10,
  )
  return sys
 

benchmark/butanol_purification_system.py

@@ -5,15 +5,19 @@
 @author: cortespea
 """
 import biosteam as bst
-from .profile import register
+try:
+ from .profile import register
+except:
+ def register(*args, **kwargs):
+ return lambda f: f
 
 __all__ = (
  'create_system_butanol_purification',
 )
 
 @register(
  'butanol_purification', 'Butanol purification',
- 5, [1, 2, 3, 4, 5], 'BtOH\nsep.'
+ 2, [0.5, 1, 1.5, 2], 'BtOH\nsep.'
 )
 def create_system_butanol_purification(alg):
  bst.settings.set_thermo(['Water', 'Butanol'], cache=True)
@@ -53,5 +57,5 @@ def create_system_butanol_purification(alg):
  LHK=('Water', 'Butanol'),
  )
 
- sys = bst.System.from_units(units=[water_distiller, settler, butanol_distiller])
+ sys = bst.System.from_units(units=[water_distiller, settler, butanol_distiller], algorithm=alg)
  return sys

benchmark/profile.py

@@ -150,6 +150,8 @@ def profile_phenomena_oriented(system, total_time):
  po = all_systems[system]('phenomena oriented')
  po.flatten()
  po._setup_units()
+ # print(po.algorithm)
+ # breakpoint()
  data = profile(po.run_phenomena, *streams_and_stages(po), total_time)
  bst.F.clear()
  return data
@@ -191,7 +193,6 @@ def dT_error(stage):
  sum([i.H for i in stage.outs]) - sum([i.H for i in stage.ins])
  ) / sum([i.C for i in stage.outs])
 
-# @high_precision
 def benchmark(f, streams, adiabatic_stages, stages, total_time):
  time = bst.TicToc()
  net_time = 0
@@ -361,29 +362,29 @@ def plot_benchmark(systems=None, N=100, load=True, save=True):
 # @high_precision
 def profile(f, streams, adiabatic_stages, stages, total_time):
  time = bst.TicToc()
- KB_error = []
  flow_error = []
  energy_error = []
  material_error = []
  temperature_error = []
  record = []
  net_time = 0
- KBs = np.array([i.K * i.B for i in stages if hasattr(i, 'K')])
  temperatures = np.array([i.T for i in streams])
  flows = np.array([i.mol for i in streams])
  while net_time < total_time:
  time.tic()
  f()
  net_time += time.toc()
- new_KBs = np.array([i.K * i.B for i in stages if hasattr(i, 'K')])
  new_temperatures = np.array([i.T for i in streams])
  new_flows = np.array([i.mol for i in streams])
  record.append(net_time)
  dF = np.abs(flows - new_flows).sum()
+ # sys = f.__self__
+ # print(sys.algorithm)
+ # if sys.algorithm == 'Phenomena oriented':
+ # sys.show()
+ # breakpoint()
+ # print(dF)
  dT = np.abs(temperatures - new_temperatures).sum()
- KB_error.append(
- np.log10(np.abs(new_KBs - KBs).sum() + 1e-15)
- )
  flow_error.append(
  np.log10(dF + 1e-15)
  )
@@ -396,12 +397,10 @@ def profile(f, streams, adiabatic_stages, stages, total_time):
  material_error.append(
  np.log10(sum([abs(i.mass_balance_error()) for i in stages]) + 1e-15)
  )
- KBs = new_KBs
  flows = new_flows
  temperatures = new_temperatures
  return {
  'Time': record, 
- 'Stripping factor': KB_error,
  'Stream temperature': temperature_error,
  'Component flow rate': flow_error, 
  'Energy balance': energy_error, 
@@ -436,7 +435,7 @@ def dct_mean_std(dcts: list[dict], keys: list[str]):
  return {i: (values[i].mean(), values[i].std()) for i in keys}
 
 def plot_profile(
- systems=None, N=10, load=True, save=True
+ systems=None, N=1, load=True, save=True
  ):
  if systems is None: systems = list(all_systems)
  fs = 9

biosteam/_system.py

@@ -91,6 +91,8 @@ def solve_material_flows(self):
  A = []
  b = []
  for node in nodes:
+ if not node._create_material_balance_equations: 
+ raise NotImplementedError(f'{node!r} has no method `_create_material_balance_equations`')
  for coefficients, value in node._create_material_balance_equations():
  coefficients = {
  streams[i.imol]: j for i, j in coefficients.items()
@@ -139,13 +141,17 @@ def solve_energy_departures(self):
  A = []
  b = []
  for node in nodes:
+ if not node._create_energy_departure_equations: 
+ raise NotImplementedError(f'{node!r} has no method `_create_energy_departure_equations`')
  for coefficients, value in node._create_energy_departure_equations():
  A.append(coefficients)
  b.append(value)
  A, objs = dictionaries2array(A)
- values = solve(A, np.array(b).T).T
- for obj, value in zip(objs, values): 
- obj._update_energy_variable(value)
+ departures = solve(A, np.array(b).T).T
+ for obj, departure in zip(objs, departures): 
+ if not obj._update_energy_variable:
+ raise NotImplementedError(f'{obj!r} has no method `_update_energy_variable`')
+ obj._update_energy_variable(departure)
 
  def __enter__(self):
  units = self.stages
@@ -2293,18 +2299,22 @@ def run_phenomena(self):
  except:
  for i in path[n+1:]: i.run()
  last.run()
- for i in self.stages: 
- if (hasattr(i, '_update_equilibrium_variables') 
- and getattr(i, 'phases', None) == ('g', 'l')):
- i._update_equilibrium_variables()
- if hasattr(i, '_update_reaction_conversion'): 
- i._update_reaction_conversion()
  try:
  with self.stage_configuration(aggregated=False) as conf:
+ for i in conf.stages: 
+ if hasattr(i, '_update_equilibrium_variables'):
+ i._update_equilibrium_variables()
+ if hasattr(i, '_update_reaction_conversion'): 
+ i._update_reaction_conversion()
  conf.solve_energy_departures()
  conf.solve_material_flows()
  except: 
  with self.stage_configuration(aggregated=True) as conf:
+ for i in conf.stages: 
+ if hasattr(i, '_update_equilibrium_variables'):
+ i._update_equilibrium_variables()
+ if hasattr(i, '_update_reaction_conversion'): 
+ i._update_reaction_conversion()
  conf.solve_energy_departures()
  conf.solve_material_flows()
 

biosteam/units/compressor.py

@@ -600,8 +600,8 @@ def _create_material_balance_equations(self):
 
  return equations
 
- def _update_energy_variable(self, variable, value):
- self.outs[0].T += value
+ def _update_energy_variable(self, departure):
+ self.outs[0].T += departure
 
 
 class PolytropicCompressor(Compressor, new_graphics=False):

biosteam/units/distillation.py

@@ -1514,6 +1514,12 @@ def _create_material_balance_equations(self):
  )
  return equations
 
+ def _get_energy_departure_coefficient(self, stream):
+ return None
+
+ def _create_energy_departure_equations(self):
+ return []
+
  def _update_equilibrium_variables(self):
  outs = top, bottom = self.outs
  data = [i.get_data() for i in outs]
@@ -1940,6 +1946,8 @@ def _recompute_distillate_recoveries(self, distillate_recoveries):
  self._distillate_recoveries = distillate_recoveries
  return distillate_recoveries
 
+ _get_energy_departure_coefficient = BinaryDistillation._get_energy_departure_coefficient
+ _create_energy_departure_equations = BinaryDistillation._create_energy_departure_equations
  _create_material_balance_equations = BinaryDistillation._create_material_balance_equations
  _update_equilibrium_variables = BinaryDistillation._update_equilibrium_variables
 

biosteam/units/mixing.py

@@ -176,12 +176,12 @@ def _create_material_balance_equations(self):
  )
  return equations
 
- def _update_energy_variable(self, value):
+ def _update_energy_variable(self, departure):
  phases = self.phases
  if phases == ('g', 'l'):
- self._B += value
+ self._B += departure
  else:
- self.outs[0].T += value
+ self.outs[0].T += departure
 
 
 class SteamMixer(Unit):

biosteam/units/splitting.py

@@ -342,7 +342,7 @@ def _create_energy_departure_equations(self, temperature_only=False):
  self.ins[0]._update_energy_departure_coefficient(coeff)
  return [(coeff, self.H_in - self.H_out)]
 
- def _update_energy_variable(self, value):
- self.T = T = self.T + value
+ def _update_energy_variable(self, departure):
+ self.T = T = self.T + departure
  for i in self.outs: i.T = T