finally get PO-alg optimized

benchmark/haber_bosch_process.py

@@ -36,7 +36,11 @@ def create_system_haber_bosch_process(alg='sequential modular'):
  phase='g'
  )
  preheater = bst.HXutility(ins=feed, T=450 + 273.15)
- reactor = bst.
+ reactor = bst.ReactivePhaseStage(
+ ins=preheater-0, T=450 + 273.15, P=300e5,
+ reaction=bst.Reaction('N2 + H2 -> NH4', reactant='N2', X=0.15, correct_atomic_balance=True),
+ )
+
  makeup_butanol = bst.Stream('makeup_butanol', Butanol=1)
  makeup_butanol.T = makeup_butanol.bubble_point_at_P().T
  recycle_butanol = bst.Stream('recycle_butanol')

benchmark/profile.py

@@ -291,6 +291,7 @@ def benchmark(self):
  time.tic()
  f()
  net_time += time.toc()
+ print('material error', sum([abs(i.mass_balance_error()) for i in stages]))
  new_temperatures = np.array([i.T for i in streams])
  new_flows = np.array([i.mol for i in streams])
  dF = np.abs(flows - new_flows)

biosteam/_system.py

@@ -177,8 +177,7 @@ def _solve_material_flows(self, composition_sensitive):
  A, objs = dictionaries2array(A)
  values = solve(A, np.array(b).T).T
  values[values < 0] = 0
- for obj, value in zip(objs, values): 
- obj._update_material_flows(value)
+ for obj, value in zip(objs, values): obj._update_material_flows(value)
  for i in nodes: 
  if hasattr(i, '_update_auxiliaries'): i._update_auxiliaries()
  return values
@@ -2381,7 +2380,7 @@ def stage_configuration(self, aggregated=False):
  self.path, stages, nodes, streams, stream_ref, connections, aggregated
  )
  return conf
-
+ failure = 0
  def run_phenomena(self):
  """Decouple and linearize material, equilibrium, summation, enthalpy,
  and reaction phenomena and iteratively solve them."""
@@ -2395,7 +2394,7 @@ def run_phenomena(self):
  i.run()
  conf.solve_energy_departures()
  conf.solve_material_flows()
- except NotImplementedError as error:
+ except (NotImplementedError, UnboundLocalError) as error:
  raise error
  except:
  for i in path: i.run()

biosteam/_unit.py

@@ -278,7 +278,7 @@ def _begin_equations(self, composition_sensitive):
  for i in dct:
  if i.source and not getattr(i.source, 'composition_sensitive', False): break
  else:
- dependent_streams.append(i.imol)
+ dependent_streams.extend([i.imol for i in dct])
  equations.append(eq)
  dependent_streams = set(dependent_streams)
  for i in inlets: 

biosteam/units/distillation.py

@@ -1520,15 +1520,12 @@ def _update_net_flow_parameters(self):
  )
  self.B = phi / (1 - phi)
 
- def _create_material_balance_equations(self):
+ def _create_material_balance_equations(self, composition_sensitive):
  top, bottom = self.outs
  B = self.B
  K = self.K
- inlets = self.ins
- fresh_inlets = [i for i in inlets if i.isfeed() and not i.material_equations]
- process_inlets = [i for i in inlets if not i.isfeed()]
+ fresh_inlets, process_inlets, equations = self._begin_equations(composition_sensitive)
  top, bottom, *_ = self.outs
- equations = []
  ones = np.ones(self.chemicals.size)
  minus_ones = -ones
  zeros = np.zeros(self.chemicals.size)

biosteam/units/stage.py

@@ -156,7 +156,7 @@ def _run(self):
  if self.T is None: 
  self.reaction.adiabatic_reaction(outlet, Q=self.Q)
  else:
- self.reaction(outlet, Q=self.Q)
+ self.reaction(outlet)
  outlet.T = self.T
 
  def _create_material_balance_equations(self, composition_sensitive=False):