Skip to content

Commit

Permalink
more flexible setting in Hydrocracking
Browse files Browse the repository at this point in the history
  • Loading branch information
@yalinli2
yalinli2 committed Oct 18, 2024
1 parent 838cc63 commit ea1e790
Showing 1 changed file with 73 additions and 36 deletions.
109 changes: 73 additions & 36 deletions qsdsan/sanunits/_hydroprocessing.py
View file
Original file line number Diff line number Diff line change
Expand Up @@ -50,18 +50,21 @@ class Hydrocracking(Reactor):
HC catalyst lifetime, [hr].
hydrogen_P: float
Hydrogen pressure, [Pa].
hydrogen_rxned_to_heavy_oil: float
Reacted H2 to heavy oil mass ratio.
hydrogen_rxned_to_inf_oil: float
Reacted H2 to influent oil mass ratio.
hydrogen_excess: float
Actual hydrogen amount = hydrogen_rxned_to_biocrude*hydrogen_excess
hydrocarbon_ratio: float
Mass ratio of produced hydrocarbon to the sum of heavy oil and reacted H2.
oil_yield: float
Mass ratio of cracked oil to the sum of heavy oil and reacted H2,
gas yield is calculated as 1-oil_yield (about 100% conversion as in [1]).
HCin_T: float
HC influent temperature, [K].
HCrxn_T: float
HC effluent (after reaction) temperature, [K].
HC_composition: dict
HC effluent composition.
gas_composition: dict
Composition of the gas products, will be normalized to 100% sum.
oil_composition: dict
Composition of the cracked oil, will be normalized to 100% sum.
References
----------
Expand All @@ -86,23 +89,22 @@ def __init__(self, ID='', ins=None, outs=(), thermo=None,
WHSV=0.625, # wt./hr per wt. catalyst [1]
catalyst_lifetime=5*7920, # 5 years [1]
hydrogen_P=1039.7*6894.76,
hydrogen_rxned_to_heavy_oil=0.01125,
hydrogen_rxned_to_inf_oil=0.01125,
hydrogen_excess=5.556,
hydrocarbon_ratio=1, # 100 wt% of heavy oil and reacted H2
# nearly all input heavy oils and H2 will be converted to
# products [1]
# spreadsheet HC calculation
oil_yield=1-0.03880-0.00630,
HCin_T=394+273.15,
HCrxn_T=451+273.15,
HC_composition={'CO2':0.03880, 'CH4':0.00630,
'CYCHEX':0.03714, 'HEXANE':0.01111,
'HEPTANE':0.11474, 'OCTANE':0.08125,
'C9H20':0.09086, 'C10H22':0.11756,
'C11H24':0.16846, 'C12H26':0.13198,
'C13H28':0.09302, 'C14H30':0.04643,
'C15H32':0.03250, 'C16H34':0.01923,
'C17H36':0.00431, 'C18H38':0.00099,
'C19H40':0.00497, 'C20H42':0.00033},
gas_composition={'CO2':0.03880, 'CH4':0.00630,},
oil_composition={
'CYCHEX':0.03714, 'HEXANE':0.01111,
'HEPTANE':0.11474, 'OCTANE':0.08125,
'C9H20':0.09086, 'C10H22':0.11756,
'C11H24':0.16846, 'C12H26':0.13198,
'C13H28':0.09302, 'C14H30':0.04643,
'C15H32':0.03250, 'C16H34':0.01923,
'C17H36':0.00431, 'C18H38':0.00099,
'C19H40':0.00497, 'C20H42':0.00033,
},
#combine C20H42 and PHYTANE as C20H42
# will not be a variable in uncertainty/sensitivity analysis
P=None, tau=5, void_fraciton=0.4, # Towler
Expand All @@ -116,12 +118,14 @@ def __init__(self, ID='', ins=None, outs=(), thermo=None,
self.WHSV = WHSV
self.catalyst_lifetime = catalyst_lifetime
self.hydrogen_P = hydrogen_P
self.hydrogen_rxned_to_heavy_oil = hydrogen_rxned_to_heavy_oil
self.hydrogen_rxned_to_inf_oil = hydrogen_rxned_to_inf_oil
self.hydrogen_excess = hydrogen_excess
self.hydrocarbon_ratio = hydrocarbon_ratio
self.oil_yield = oil_yield
self.HCin_T = HCin_T
self._mixed_in = Stream(f'{ID}_mixed_in')
self.HCrxn_T = HCrxn_T
self.HC_composition = HC_composition
self.gas_composition = gas_composition
self.oil_composition = oil_composition
IC_in = Stream(f'{ID}_IC_in')
IC_out = Stream(f'{ID}_IC_out')
self.compressor = IsothermalCompressor(ID=f'.{ID}_IC', ins=IC_in,
Expand Down Expand Up @@ -157,19 +161,20 @@ def _run(self):
# catalysts amount is quite low compared to the main stream, therefore do not consider
# heating/cooling of catalysts

hydrogen.imass['H2'] = heavy_oil.F_mass*self.hydrogen_rxned_to_heavy_oil*self.hydrogen_excess
hydrogen_rxned_to_inf_oil = self.hydrogen_rxned_to_inf_oil
hydrogen.imass['H2'] = heavy_oil.F_mass*hydrogen_rxned_to_inf_oil*self.hydrogen_excess
hydrogen.phase = 'g'

hydrocarbon_mass = heavy_oil.F_mass*(1 +\
self.hydrogen_rxned_to_heavy_oil)*\
self.hydrocarbon_ratio

hydrocarbon_mass = heavy_oil.F_mass*(1 + hydrogen_rxned_to_inf_oil)
# 100 wt% of heavy oil and reacted H2
# nearly all input heavy oils and H2 will be converted to products [1]
# spreadsheet HC calculation
hc_out.phase = 'g'

for name, ratio in self.HC_composition.items():
hc_out.imass[name] = hydrocarbon_mass*ratio

hc_out.imass['H2'] = heavy_oil.F_mass*self.hydrogen_rxned_to_heavy_oil*(self.hydrogen_excess - 1)
hc_out.imass['H2'] = heavy_oil.F_mass*hydrogen_rxned_to_inf_oil*(self.hydrogen_excess - 1)

hc_out.P = heavy_oil.P
hc_out.T = self.HCrxn_T
Expand All @@ -189,6 +194,36 @@ def _run(self):
# make sure that carbon mass balance is within +/- 5%. Otherwise, an
# exception will be raised.

def _normalize_composition(self, dct):
total = sum(dct.values())
if total <=0: raise ValueError(f'Sum of total yields/composition should be positive, not {total}.')
return {k:v/total for k, v in dct.items()}

@property
def gas_composition(self):
return self._gas_composition
@gas_composition.setter
def gas_composition(self, comp_dct):
self._gas_composition = self._normalize_composition(comp_dct)

@property
def oil_composition(self):
return self._oil_composition
@oil_composition.setter
def oil_composition(self, comp_dct):
self._oil_composition = self._normalize_composition(comp_dct)

@property
def HC_composition(self):
'''Composition of gas and oil products, normalized to 100%.'''
gas_composition = self.gas_composition
oil_composition = self.oil_composition
oil_yield = self.oil_yield
gas_yield = 1 - oil_yield
HC_composition = {k:v*gas_yield for k, v in gas_composition.items()}
HC_composition.update({k:v*oil_yield for k, v in oil_composition.items()})
return self._normalize_composition(HC_composition)

@property
def hydrocarbon_C(self):
return sum(self.outs[0].imass[self.HC_composition]*
Expand All @@ -208,6 +243,8 @@ def _design(self):
hx_H2_ins0.copy_like(self.ins[1])
hx_H2_outs0.copy_like(hx_H2_ins0)
hx_H2_ins0.phase = hx_H2_outs0.phase = 'g'
self._mixed_in.mix_from(self.ins)
if not self.HCin_T: self.HCin_T = self._mixed_in.T
hx_H2_outs0.T = self.HCin_T
hx_H2_ins0.P = hx_H2_outs0.P = IC_outs0.P
hx_H2.simulate_as_auxiliary_exchanger(ins=hx_H2.ins, outs=hx_H2.outs)
Expand Down Expand Up @@ -257,8 +294,8 @@ class Hydrotreating(Reactor):
HT catalyst lifetime, [hr].
hydrogen_P: float
Hydrogen pressure, [Pa].
hydrogen_rxned_to_biocrude: float
Reacted H2 to biocrude mass ratio.
hydrogen_rxned_to_inf_oil: float
Reacted H2 to influent oil mass ratio.
hydrogen_excess: float
Actual hydrogen amount = hydrogen_rxned_to_biocrude*hydrogen_excess
hydrocarbon_ratio: float
Expand Down Expand Up @@ -303,7 +340,7 @@ def __init__(self, ID='', ins=None, outs=(), thermo=None,
WHSV=0.625, # wt./hr per wt. catalyst [1]
catalyst_lifetime=2*7920, # 2 years [1]
hydrogen_P=1530*6894.76,
hydrogen_rxned_to_biocrude=0.046,
hydrogen_rxned_to_inf_oil=0.046,
hydrogen_excess=3,
hydrocarbon_ratio=0.875, # 87.5 wt% of biocrude and reacted H2 [1]
# spreadsheet HT calculation
Expand Down Expand Up @@ -354,7 +391,7 @@ def __init__(self, ID='', ins=None, outs=(), thermo=None,
self.WHSV = WHSV
self.catalyst_lifetime = catalyst_lifetime
self.hydrogen_P = hydrogen_P
self.hydrogen_rxned_to_biocrude = hydrogen_rxned_to_biocrude
self.hydrogen_rxned_to_inf_oil = hydrogen_rxned_to_inf_oil
self.hydrogen_excess = hydrogen_excess
self.hydrocarbon_ratio = hydrocarbon_ratio
self.HTin_T = HTin_T
Expand Down Expand Up @@ -409,13 +446,13 @@ def _run(self):
# heating/cooling of catalysts

hydrogen_excess = self.hydrogen_excess
H2_rxned = biocrude.imass['Biocrude']*self.hydrogen_rxned_to_biocrude
H2_rxned = biocrude.imass['Biocrude']*self.hydrogen_rxned_to_inf_oil
recovered_frac = (hydrogen_excess - 1)*self.PSA_efficiency*float(self.include_PSA)
hydrogen.imass['H2'] = H2_rxned*(hydrogen_excess - recovered_frac)
hydrogen.phase = 'g'

hydrocarbon_mass = biocrude.imass['Biocrude']*\
(1 + self.hydrogen_rxned_to_biocrude)*\
(1 + self.hydrogen_rxned_to_inf_oil)*\
self.hydrocarbon_ratio

ht_out.phase = 'g'
Expand Down

1 comment on commit ea1e790

@yalinli2
Copy link
Member Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

No change in results after this commit (small changes due to previous commits).

Image

Image

Please sign in to comment.