improvements to PO simulation

.gitignore

@@ -11,6 +11,7 @@ biosteam/benchmark/simulations/*
 *.svg
 *.png
 *.npy
+*.xlsx
 .gitignore
 .pypirc
 dist

benchmark/acetic_acid_system.py

@@ -60,8 +60,13 @@ def create_acetic_acid_simple_system(alg):
  def fresh_solvent_flow_rate():
  broth = feed.F_mass
  EtAc_recycle = recycle.imass['EthylAcetate']
+ EtAc_required = broth * solvent_feed_ratio
+ if EtAc_required < EtAc_recycle:
+ recycle.F_mass *= EtAc_required / EtAc_recycle
+ EtAc_recycle = recycle.imass['EthylAcetate']
+ EtAc_fresh = EtAc_required - EtAc_recycle
  solvent.imass['EthylAcetate'] = max(
- 0, broth * solvent_feed_ratio - EtAc_recycle
+ 0, EtAc_fresh
  )
 
  @solvent.material_balance
@@ -81,7 +86,7 @@ def fresh_solvent_flow_rate():
 
 @register(
  'acetic_acid_complex', 'Glacial acetic acid\npurification',
- 60, [0, 10, 20, 30, 40, 50, 60], 'AcOH\nsep.'
+ 210, [0, 30, 60, 90, 120, 150, 180, 210], 'AcOH\nsep.'
 )
 def create_acetic_acid_complex_system(alg):
  thermo = bst.Thermo(['Water', 'AceticAcid', 'EthylAcetate'], cache=True)
@@ -154,9 +159,15 @@ def fresh_solvent_flow_rate():
  def adjust_fresh_solvent_flow_rate():
  broth = acetic_acid_broth.F_mass
  EtAc_recycle = solvent_recycle.imass['EthylAcetate']
+ EtAc_required = broth * solvent_feed_ratio
+ if EtAc_required < EtAc_recycle:
+ solvent_recycle.F_mass *= EtAc_required / EtAc_recycle
+ EtAc_recycle = solvent_recycle.imass['EthylAcetate']
+ EtAc_fresh = EtAc_required - EtAc_recycle
  ethyl_acetate.imass['EthylAcetate'] = max(
- 0, broth * solvent_feed_ratio - EtAc_recycle
+ 0, EtAc_fresh
  )
+
  HX = bst.StageEquilibrium(
  'HX_extract',
  ins=[extractor.extract], 
@@ -173,11 +184,11 @@ def adjust_fresh_solvent_flow_rate():
  reflux=None,
  boilup=3,
  use_cache=True,
- maxiter=10,
  )
+ mixer = bst.Mixer('distillation_recycle', ins=[ED-0, distillate_2])
  settler = bst.StageEquilibrium(
  'settler',
- ins=(ED-0, distillate, distillate_2), 
+ ins=(mixer-0, distillate), 
  outs=(solvent_recycle, water_rich, ''),
  phases=('L', 'l'),
  top_chemical='EthylAcetate',
@@ -231,7 +242,18 @@ def adjust_fresh_solvent_flow_rate():
  feed_stages=(1, 2),
  reflux=1,
  boilup=2,
- maxiter=10,
  )
  return sys
 
+def test_simple_acetic_acid_purification_system():
+ pass
+
+def test_complex_acetic_acid_purification_system():
+ po = create_acetic_acid_complex_system('phenomena-oriented')
+ po.flatten()
+ po.set_tolerance(mol=1e-3, rmol=1e-3, maxiter=20)
+ sm = create_acetic_acid_complex_system('sequential modular')
+ sm.flatten()
+ sm.set_tolerance(mol=1e-3, rmol=1e-3, maxiter=20)
+ po.simulate()
+

benchmark/butanol_purification_system.py

@@ -17,7 +17,7 @@ def register(*args, **kwargs):
 
 @register(
  'butanol_purification', 'Butanol purification',
- 2, [0.5, 1, 1.5, 2], 'BtOH\nsep.'
+ 4, [0.5, 1, 1.5, 2, 2.5, 3, 3.5, 4], 'BtOH\nsep.'
 )
 def create_system_butanol_purification(alg):
  bst.settings.set_thermo(['Water', 'Butanol'], cache=True)
@@ -37,12 +37,15 @@ def create_system_butanol_purification(alg):
  ins=(feed, water_rich), outs=(distillate_0, 'water'),
  x_bot=0.0001, y_top=0.2, k=1.2, Rmin=0.01,
  LHK=('Butanol', 'Water'),
+ partial_condenser=False,
  )
+ # water_distiller.decoupled = True
 
  # Decanter
+ mixer = bst.Mixer('mixer', ins=(distillate_0, distillate_1))
  settler = bst.StageEquilibrium(
  'settler',
- ins=(distillate_0, distillate_1), 
+ ins=mixer-0, 
  outs=('butanol_rich', water_rich),
  phases=('L', 'l'),
  top_chemical='Butanol',
@@ -53,9 +56,21 @@ def create_system_butanol_purification(alg):
  butanol_distiller = bst.BinaryDistillation(
  ins=settler-0,
  outs=(distillate_1, 'butanol'),
- x_bot=0.0001, y_top=0.6, k=1.2, Rmin=0.01,
+ x_bot=0.0001, y_top=0.6, 
+ k=1.2, Rmin=0.01,
  LHK=('Water', 'Butanol'),
+ partial_condenser=False,
  )
+ # butanol_distiller.decoupled = True
 
- sys = bst.System.from_units(units=[water_distiller, settler, butanol_distiller], algorithm=alg)
+ sys = bst.System.from_units(units=[water_distiller, mixer, settler, butanol_distiller], algorithm=alg)
  return sys
+
+def test_butanol_purification_system():
+ po = create_system_butanol_purification('phenomena-oriented')
+ po.flatten()
+ po.set_tolerance(mol=1e-3, rmol=1e-3, maxiter=20)
+ sm = create_system_butanol_purification('sequential modular')
+ sm.flatten()
+ sm.set_tolerance(mol=1e-3, rmol=1e-3, maxiter=20)
+ po.simulate()