def add_V_from_rho(component, rho, rho_unit='kg/m3'):
'''
Add a constant molar volume model to the component with the given rho.
Parameters
----------
component : obj
The component for which the molar volume model will be added.
rho : float
The density of the component.
rho_unit : str
Unit of the density rho.
Examples
--------
>>> from qsdsan import Component
>>> from qsdsan.utils import add_V_from_rho
>>> P4O10 = Component('P4O10', phase='s', organic=False,
... particle_size='Particulate', degradability='Undegradable')
>>> add_V_from_rho(P4O10, 2.39, rho_unit='g/mL') # http://www.chemspider.com/Chemical-Structure.14128.html
>>> P4O10.V
VolumeSolid(CASRN="16752-60-6 (P4O10)", MW=283.889048, extrapolation="linear", method="USER_METHOD")
>>> P4O10.V(330) # doctest: +ELLIPSIS
0.0001187...
'''
rho = auom(rho_unit).convert(rho, 'kg/m3')
V_model = rho_to_V(rho, component.MW)
try:
component.V.add_model(V_model)
except AttributeError:
handle = getattr(component.V, component.locked_state)
handle.add_model(V_model)
def set_rho(single_phase_chemical, rho):
V = fn.rho_to_V(rho, single_phase_chemical.MW)
single_phase_chemical.V.add_model(V, top_priority=True)
Solids = create_new_chemical('Solids', MW=1.)
DryYeast = create_new_chemical('DryYeast', MW=1., CAS='Yeast')
CaO = create_new_chemical('CaO', formula='CaO')
# %% Fill missing properties
# Insolubles occupy a significant volume
insoluble_solids = (Ash, Cellulose, Hemicellulose, Flocculant, Lignin, Solids,
DryYeast, P4O10)
# Solubles don't occupy much volume
soluble_solids = (CaO, H3PO4, Glucose, Sucrose)
for chemical in insoluble_solids:
V = fn.rho_to_V(rho=1540, MW=chemical.MW)
chemical.V.add_model(V, top_priority=True)
for chemical in soluble_solids:
V = fn.rho_to_V(rho=1e5, MW=chemical.MW)
chemical.V.add_model(V, top_priority=True)
# Add constant models for molar heat capacity of solids
Ash.Cn.add_model(0.09 * 4.184 * Ash.MW)
CaO.Cn.add_model(1.02388 * CaO.MW)
Cellulose.Cn.add_model(1.364 * Cellulose.MW)
Hemicellulose.Cn.add_model(1.364 * Hemicellulose.MW)
Flocculant.Cn.add_model(4.184 * Flocculant.MW)
Lignin.Cn.add_model(1.364 * Lignin.MW)
Solids.Cn.add_model(1.100 * Solids.MW)
Lipid.Dortmund.set_group_counts_by_name({
'CH3': 3,
'CH2': 41,
'CH': 1,
'CH=CH': 3,
'CH2COO': 3
})
# %% Fill missing properties
# Assume properties are similar for trioleate and tripalmitin
Tripalmitin = tmo.Chemical('Tripalmitin').at_state(phase='l', copy=True)
Lipid.copy_models_from(Tripalmitin, ['V', 'sigma', 'kappa', 'Cn'])
# Assume a constant volume for lipid
lipid_molar_volume = fn.rho_to_V(rho=900, MW=Lipid.MW)
Lipid.V.add_model(lipid_molar_volume)
# Insolubles occupy a significant volume
insoluble_solids = (Ash, Cellulose, Hemicellulose, Flocculant, Lignin, Solids,
DryYeast, P4O10)
# Solubles don't occupy much volume
soluble_solids = (CaO, HCl, NaOH, H3PO4, Glucose, Sucrose)
for chemical in insoluble_solids:
V = fn.rho_to_V(rho=1540, MW=chemical.MW)
chemical.V.add_model(V, top_priority=True)
for chemical in soluble_solids:
V = fn.rho_to_V(rho=1e5, MW=chemical.MW)
def add_V_from_rho(cmp, rho):
V_model = rho_to_V(rho, cmp.MW)
try: cmp.V.add_model(V_model)
except:
handle = getattr(cmp.V, cmp.locked_state)
handle.add_model(V_model)
def create_chemicals():
### Define common chemicals ###
Biodiesel = tmo.Chemical('Biodiesel', search_ID='Methyl oleate')
lipidcane_chemicals = tmo.Chemicals([
'Water', 'Methanol', 'Ethanol', 'Glycerol', 'Glucose', 'Sucrose',
'H3PO4', 'P4O10', 'CO2', 'Octane', 'O2', Biodiesel, 'CH4'
])
(Water, Methanol, Ethanol, Glycerol, Glucose, Sucrose, H3PO4, P4O10, CO2,
Octane, O2, Biodiesel, CH4) = lipidcane_chemicals
O2.at_state(phase='g')
CH4.at_state(phase='g')
CO2.at_state(phase='g')
H3PO4.at_state(phase='s')
P4O10.at_state(phase='s')
Glucose.at_state(phase='s')
Sucrose.at_state(phase='s')
### Define new chemicals ###
def create_new_chemical(ID, phase='s', **constants):
solid = tmo.Chemical.blank(ID, phase=phase, **constants)
lipidcane_chemicals.append(solid)
return solid
Ash = create_new_chemical('Ash', MW=1.)
Cellulose = create_new_chemical(
'Cellulose',
formula="C6H10O5", # Glucose monomer minus water
Hf=-975708.8)
Hemicellulose = create_new_chemical(
'Hemicellulose',
formula="C5H8O5", # Xylose monomer minus water
Hf=-761906.4)
Flocculant = create_new_chemical('Flocculant', MW=1.)
Lignin = create_new_chemical(
'Lignin',
formula='C8H8O3', # Vainillin
Hf=-452909.632)
Solids = create_new_chemical('Solids', MW=1.)
DryYeast = create_new_chemical('DryYeast', MW=1., CAS='Yeast')
CaO = create_new_chemical('CaO', formula='CaO')
HCl = create_new_chemical('HCl', formula='HCl')
NaOH = create_new_chemical('NaOH', formula='NaOH')
NaOCH3 = create_new_chemical('NaOCH3', formula='NaOCH3')
Lipid = create_new_chemical('Lipid',
phase='l',
formula='C57H104O6',
Hf=-2193.7e3)
Lipid.Dortmund.set_group_counts_by_name({
'CH3': 3,
'CH2': 41,
'CH': 1,
'CH=CH': 3,
'CH2COO': 3
})
### Fill missing properties ###
# Assume properties are similar for trioleate and tripalmitin
Tripalmitin = tmo.Chemical('Tripalmitin').at_state(phase='l', copy=True)
Lipid.copy_models_from(Tripalmitin, ['V', 'sigma', 'kappa', 'Cn'])
# Assume a constant volume for lipid
lipid_molar_volume = fn.rho_to_V(rho=900, MW=Lipid.MW)
Lipid.V.add_model(lipid_molar_volume)
# Insolubles occupy a significant volume
insoluble_solids = (Ash, Cellulose, Hemicellulose, Flocculant, Lignin,
Solids, DryYeast, P4O10)
# Solubles don't occupy much volume
soluble_solids = (CaO, HCl, NaOH, H3PO4, Glucose, Sucrose)
for chemical in insoluble_solids:
V = fn.rho_to_V(rho=1540, MW=chemical.MW)
chemical.V.add_model(V, top_priority=True)
for chemical in soluble_solids:
V = fn.rho_to_V(rho=1e5, MW=chemical.MW)
chemical.V.add_model(V, top_priority=True)
# Assume sodium methoxide has some of the same properities as methanol
LiquidMethanol = Methanol.at_state(phase='l', copy=True)
NaOCH3.copy_models_from(LiquidMethanol, ['V', 'sigma', 'kappa', 'Cn'])
# Add constant models for molar heat capacity of solids
Ash.Cn.add_model(0.09 * 4.184 * Ash.MW)
CaO.Cn.add_model(1.02388 * CaO.MW)
Cellulose.Cn.add_model(1.364 * Cellulose.MW)
Hemicellulose.Cn.add_model(1.364 * Hemicellulose.MW)
Flocculant.Cn.add_model(4.184 * Flocculant.MW)
Lignin.Cn.add_model(1.364 * Lignin.MW)
Solids.Cn.add_model(1.100 * Solids.MW)
for chemical in lipidcane_chemicals:
chemical.default()
lipidcane_chemicals.compile()
lipidcane_chemicals.set_synonym('Water', 'H2O')
return lipidcane_chemicals
def create_ethanol_subsystem_example():
"""
Test BioSTEAM by creating a conventional sugarcane fermentation and ethanol
purification process.
Examples
--------
>>> ethanol_sys = create_ethanol_subsystem_example()
>>> # The sugarcane_example_subsystem flowsheet may help for accessing units
>>> from biosteam import main_flowsheet as F
>>> fs = F.flowsheet['ethanol_subsystem_example']
>>> fs.unit # Check unit operation registry
Register:
<Fermentation: R301>
<StorageTank: T301>
<VentScrubber: D301>
<SolidsCentrifuge: C301>
<Mixer: M302>
<Pump: P301>
<HXprocess: H302>
<BinaryDistillation: D302>
<Pump: P302>
<Mixer: M303>
<BinaryDistillation: D303>
<Pump: P303>
<HXutility: H303>
<MolecularSieve: U301>
>>> R301 = fs.unit.R301 # Get unit operation
"""
original_flowsheet = main_flowsheet.get_flowsheet()
main_flowsheet.set_flowsheet('ethanol_subsystem_example')
### Create property package ###
chemicals = tmo.Chemicals(
['Water', 'Ethanol', 'Glucose',
'Sucrose', 'H3PO4', 'P4O10',
'CO2', 'Octane', 'O2']
)
Water, Ethanol, Glucose, Sucrose, H3PO4, P4O10, CO2, Octane, O2 = chemicals
CO2.at_state(phase='g')
H3PO4.at_state(phase='s')
P4O10.at_state(phase='s')
Glucose.at_state(phase='s')
Sucrose.at_state(phase='s')
DryYeast = tmo.Chemical('DryYeast', MW=1., phase='s',
search_db=False, default=True, CAS='Yeast')
chemicals.append(DryYeast)
Ash = tmo.Chemical('Ash', MW=1., search_db=False, phase='s', default=True)
chemicals.append(Ash)
# Insolubles occupy a significant volume
insoluble_solids = (Ash, DryYeast)
# Solubles don't occupy much volume
soluble_solids = (H3PO4, Glucose, Sucrose)
for chemical in insoluble_solids:
V = fn.rho_to_V(rho=1540, MW=chemical.MW)
chemical.V.add_model(V, top_priority=True)
for chemical in soluble_solids:
V = fn.rho_to_V(rho=1e5, MW=chemical.MW)
chemical.V.add_model(V, top_priority=True)
# Add constant models for molar heat capacity of solids
Ash.Cn.add_model(0.09 * 4.184 * Ash.MW)
for chemical in chemicals: chemical.default()
bst.settings.set_thermo(chemicals)
chemicals.set_synonym('Water', 'H2O')
### Create fresh streams ###
# Fresh water
stripping_water = bst.Stream('stripping_water', Water=5000, units='kg/hr')
fermentation_feed = bst.Stream('fermentation_feed', phase='l',
Glucose=21.11,
Sucrose=125.9,
Water=1370 + 4409,
H3PO4=0.7575,
DryYeast=1.03e+04)
# Ethanol Production
R301 = units.Fermentation('R301', outs=('CO2', ''), tau=9, efficiency=0.90, N=4)
T301 = units.StorageTank('T301', tau=4, vessel_material='Carbon steel')
T301.line = 'Beer tank'
D301 = units.VentScrubber('D301', ins=(stripping_water, R301-0), gas=('CO2',))
# Separate 99% of yeast
C301 = units.SolidsCentrifuge('C301', outs=('recycle_yeast', ''),
split=(1, 0.99999, 1, 0.96, 0.01),
order=('Ethanol', 'Glucose', 'H3PO4',
'Water', 'DryYeast'),
solids=('DryYeast',))
C301.split[:] = 1. - C301.split
# Mix in Water
M302 = units.Mixer('M302')
P301 = units.Pump('P301')
# Heat up before beer column
# Exchange heat with stillage
H302 = units.HXprocess('H302', outs=('', 'stillage'),
phase0='l', phase1='l', U=1.28)
# Beer column
x_bot = 3.910570816782338e-06
y_top = 0.34508430224337167
D302 = units.BinaryDistillation('D302', P=101325,
y_top=y_top, x_bot=x_bot, k=1.25,
LHK=('Ethanol', 'Water'))
D302.tray_material = 'Stainless steel 304'
D302.vessel_material = 'Stainless steel 304'
D302.boiler.U = 1.85
P302 = units.Pump('P302')
# Mix ethanol Recycle (Set-up)
M303 = units.Mixer('M303')
x_bot = 3.910570816782338e-06
y_top = 0.7906528373264998
D303 = units.BinaryDistillation('D303', P=101325,
y_top=y_top, x_bot=x_bot, k=1.25,
LHK=('Ethanol', 'Water'),
tray_material='Stainless steel 304',
vessel_material='Stainless steel 304',
is_divided=True)
D303.boiler.U = 1.85
P303 = units.Pump('P303')
# Superheat vapor for mol sieve
H303 = units.HXutility('H303', T=115+273.15, V=1)
# Molecular sieve
U301 = units.MolecularSieve('U301',
split=(2165.14/13356.04, 1280.06/1383.85),
order=('Ethanol', 'Water'))
fermentation_feed-R301-1-T301-0-C301
(C301-1, D301-1)-M302-P301
(P301-0, P302-0)-H302-0-D302-1-P302
(D302-0, U301-0)-M303-0-D303-0-H303-U301
D303-1-P303
ethanol_subsystem_example = main_flowsheet.create_system('ethanol_subsystem_example')
ethanol_subsystem_example.simulate()
main_flowsheet.set_flowsheet(original_flowsheet)
return ethanol_subsystem_example
