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minor updates
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@yoelcortes
yoelcortes committed Jan 29, 2024
1 parent ca4dbd2 commit 7981d96
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Showing 2 changed files with 129 additions and 119 deletions.
4 changes: 4 additions & 0 deletions biosteam/units/phase_equilibrium.py
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Original file line number Diff line number Diff line change
Expand Up @@ -505,9 +505,13 @@ def _get_arrays(self):
def _set_arrays(self, IDs, **kwargs):
IDs_last = self.IDs
if IDs_last and IDs_last != IDs:
size = len(IDs_last)
index = [IDs_last.index(i) for i in IDs]
for name, array in kwargs.items():
last = getattr(self, name)
if last.size != size:
last = np.ones(size)
setattr(self, name, last)
for i, j in enumerate(index):
last[j] = array[i]
else:
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244 changes: 125 additions & 119 deletions tests/test_phenomena_oriented_simulation.py
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Original file line number Diff line number Diff line change
Expand Up @@ -319,139 +319,145 @@ def fresh_solvent_flow_rate():
# value = s_dp.mol
# assert_allclose(actual, value, rtol=0.01)

# def test_complex_acetic_acid_separation_system():
# import biosteam as bst
# import numpy as np
# @bst.SystemFactory
# def system(ins, outs):
# solvent_feed_ratio = 1
# bst.settings.set_thermo(['Water', 'AceticAcid', 'EthylAcetate'], cache=True)
# chemicals = bst.settings.chemicals
# acetic_acid_broth = bst.Stream(
# ID='acetic_acid_broth', AceticAcid=6660, Water=43600,
# )
# ethyl_acetate = bst.Stream(
# ID='fresh_solvent', EthylAcetate=15000, units='kg/hr'
# )
# glacial_acetic_acid = bst.Stream(ID='glacial_acetic_acid')
# wastewater = bst.Stream('wastewater')
# solvent_recycle = bst.Stream('solvent_rich')
def test_complex_acetic_acid_separation_system():
import biosteam as bst
import numpy as np
@bst.SystemFactory
def system(ins, outs):
solvent_feed_ratio = 1.5
bst.settings.set_thermo(['Water', 'AceticAcid', 'EthylAcetate'], cache=True)
chemicals = bst.settings.chemicals
acetic_acid_broth = bst.Stream(
ID='acetic_acid_broth', AceticAcid=6660, Water=43600,
)
ethyl_acetate = bst.Stream(
ID='fresh_solvent', EthylAcetate=15000, units='kg/hr'
)
glacial_acetic_acid = bst.Stream(ID='glacial_acetic_acid')
wastewater = bst.Stream('wastewater')
solvent_recycle = bst.Stream('solvent_rich')

# @ethyl_acetate.equation('mol')
# def fresh_solvent_flow_rate():
# f = np.ones(chemicals.size)
# r = np.zeros(chemicals.size)
# v = r.copy()
# index = chemicals.index('EthylAcetate')
# r[index] = 1
# v[index] = solvent_feed_ratio * acetic_acid_broth.F_mass / chemicals.EthylAcetate.MW
# return (
# {ethyl_acetate: f,
# solvent_recycle: r},
# v
# )
@ethyl_acetate.equation('mol')
def fresh_solvent_flow_rate():
f = np.ones(chemicals.size)
r = np.zeros(chemicals.size)
v = r.copy()
index = chemicals.index('EthylAcetate')
r[index] = 1
v[index] = solvent_feed_ratio * acetic_acid_broth.F_mass / chemicals.EthylAcetate.MW
return (
{ethyl_acetate: f,
solvent_recycle: r},
v
)

# water_rich = bst.Stream('water_rich')
# steam = bst.Stream('steam', Water=100, phase='g', T=390)
# vapor_extract = bst.Stream('vapor_extract', phase='g')
# liquid_extract = bst.Stream('liquid_extract', phase='l')
# extractor = bst.MultiStageMixerSettlers(
# 'extractor',
# ins=(acetic_acid_broth, ethyl_acetate, solvent_recycle),
# outs=('extract', 'raffinate'),
# feed_stages=(0, -1, -1),
# N_stages=2,
# use_cache=True,
# )
water_rich = bst.Stream('water_rich')
steam = bst.Stream('steam', Water=100, phase='g', T=390)
vapor_extract = bst.Stream('vapor_extract', phase='g')
liquid_extract = bst.Stream('liquid_extract', phase='l')
extractor = bst.MultiStageMixerSettlers(
'extractor',
ins=(acetic_acid_broth, ethyl_acetate, solvent_recycle),
outs=('extract', 'raffinate'),
feed_stages=(0, -1, -1),
N_stages=10,
use_cache=True,
)

# @extractor.add_specification(run=True)
# def adjust_fresh_solvent_flow_rate():
# broth = acetic_acid_broth.F_mass
# EtAc_recycle = solvent_recycle.imass['EthylAcetate']
# ethyl_acetate.imass['EthylAcetate'] = max(
# 0, broth * solvent_feed_ratio - EtAc_recycle
# )
@extractor.add_specification(run=True)
def adjust_fresh_solvent_flow_rate():
broth = acetic_acid_broth.F_mass
EtAc_recycle = solvent_recycle.imass['EthylAcetate']
ethyl_acetate.imass['EthylAcetate'] = max(
0, broth * solvent_feed_ratio - EtAc_recycle
)

# water_heater = bst.SinglePhaseStage('heater',
# ins=[water_rich, extractor.raffinate],
# outs=['carrier'],
# phase='l',
# T=360,
# )
water_heater = bst.SinglePhaseStage('heater',
ins=[water_rich, extractor.raffinate],
outs=['carrier'],
phase='l',
T=360,
)

# stripper = bst.Stripper('adiabatic_column',
# N_stages=3, ins=[water_heater-0, steam],
# outs=['to_distillation', wastewater],
# solute="AceticAcid",
# use_cache=True,
# )
stripper = bst.Stripper('adiabatic_column',
N_stages=3, ins=[water_heater-0, steam],
outs=['to_distillation', wastewater],
solute="AceticAcid",
use_cache=True,
)

# @steam.equation('mol')
# def steam_flow_rate():
# feed, steam = stripper.ins
# f = np.zeros(chemicals.size)
# s = np.ones(chemicals.size)
# v = f.copy()
# index = chemicals.index('Water')
# f[index] = -1
# v[index] = 0
# return (
# {feed: f,
# steam: s},
# v
# )
@steam.equation('mol')
def steam_flow_rate():
feed, steam = stripper.ins
f = np.zeros(chemicals.size)
s = np.ones(chemicals.size)
v = f.copy()
index = chemicals.index('Water')
f[index] = -1
v[index] = 0
return (
{feed: f,
steam: s},
v
)

# @stripper.add_specification(run=True)
# def adjust_steam_flow_rate():
# feed, steam = stripper.ins
# steam.imass['Water'] = feed.imass['Water']
@stripper.add_specification(run=True)
def adjust_steam_flow_rate():
feed, steam = stripper.ins
steam.imass['Water'] = feed.imass['Water']

# reflux = bst.Stream('reflux')
reflux = bst.Stream('reflux')

# distillation = bst.MESHDistillation(
# 'distillation',
# N_stages=10,
# ins=[vapor_extract, liquid_extract, reflux],
# feed_stages=[4, 6, 0],
# outs=['', glacial_acetic_acid, 'distillate'],
# full_condenser=True,
# reflux=1.0,
# boilup=3.5,
# use_cache=True,
# LHK=('Water', 'AceticAcid'),
# collapsed_init=False,
# )
# hx0 = bst.SinglePhaseStage(
# 'cooler',
# ins=[distillation.outs[2], stripper.vapor],
# outs=['cooled_distillate'],
# T=320,
# phase='l',
# )
# flash = bst.StageEquilibrium(
# 'flash',
# ins=extractor.extract,
# outs=[vapor_extract, liquid_extract],
# B=5,
# phases=('g', 'l')
# )
# settler = bst.StageEquilibrium(
# 'settler',
# ins=hx0-0,
# outs=(solvent_recycle, water_rich, reflux),
# phases=('L', 'l'),
# top_chemical='EthylAcetate',
# top_split=0.5,
# )
# sys = system()
# sys.diagram()
# sys.simulate()
distillation = bst.MESHDistillation(
'distillation',
N_stages=20,
ins=[vapor_extract, liquid_extract, reflux],
feed_stages=[8, 12, 0],
outs=['', glacial_acetic_acid, 'distillate'],
full_condenser=True,
reflux=1.0,
boilup=3.5,
use_cache=True,
LHK=('Water', 'AceticAcid'),
collapsed_init=False,
)

@distillation.add_specification
def skip_sim():
if not distillation.ins[0].isempty():
distillation._run()

hx0 = bst.SinglePhaseStage(
'cooler',
ins=[distillation.outs[2], stripper.vapor],
outs=['cooled_distillate'],
T=315,
phase='l',
)
flash = bst.StageEquilibrium(
'flash',
ins=extractor.extract,
outs=[vapor_extract, liquid_extract],
B=5,
phases=('g', 'l')
)
settler = bst.StageEquilibrium(
'settler',
ins=hx0-0,
outs=(solvent_recycle, water_rich, reflux),
phases=('L', 'l'),
top_chemical='EthylAcetate',
top_split=0.5,
)
sys = system()
sys.diagram()
sys.simulate()

if __name__ == '__main__':
test_trivial_lle_case()
test_trivial_vle_case()
test_trivial_liquid_extraction_case()
test_trivial_distillation_case()
test_simple_acetic_acid_separation_no_recycle()
# test_simple_acetic_acid_separation_with_recycle()
test_simple_acetic_acid_separation_with_recycle()
# test_complex_acetic_acid_separation_system()

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