Merge pull request #50 from QSD-Group/saf

Merge in SAF unit

exposan/biobinder/README.rst

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+=============================================================================
+biobinder: Renewable Biobinder from Hydrothermal Conversion of Organic Wastes
+=============================================================================
+
+NOT READY FOR USE
+-----------------
+
+Summary
+-------
+This module includes a hydrothermal liquefaction (HTL)-based system for the production of biobinders and valuable coproducts (biobased fuel additives and fertilizers) from wet organic wastes (food waste and swine manure) based on a project funded by `USDA <https://cris.nifa.usda.gov/cgi-bin/starfinder/0?path=fastlink1.txt&id=anon&pass=&search=R=98256&format=WEBLINK>`_.

exposan/biobinder/__init__.py

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+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+'''
+EXPOsan: Exposition of sanitation and resource recovery systems
+
+This module is developed by:
+    
+    Yalin Li <mailto.yalin.li@gmail.com>
+    
+This module is under the University of Illinois/NCSA Open Source License.
+Please refer to https://github.com/QSD-Group/EXPOsan/blob/main/LICENSE.txt
+for license details.
+'''
+
+import os, qsdsan as qs
+from exposan.utils import _init_modules
+
+biobinder_path = os.path.dirname(__file__)
+module = os.path.split(biobinder_path)[-1]
+data_path, results_path = _init_modules(module, include_data_path=True)
+
+
+# %%
+
+# =============================================================================
+# Load components and systems
+# =============================================================================
+
+from . import _components
+from ._components import *
+_components_loaded = False
+def _load_components(reload=False):
+    global components, _components_loaded
+    if not _components_loaded or reload:
+        components = create_components()
+        qs.set_thermo(components)
+        _components_loaded = True
+
+from . import _process_settings
+from ._process_settings import *
+
+from . import _units
+from ._units import *
+
+from . import systems
+from .systems import *
+
+_system_loaded = False
+def load():
+    global sys, tea, lca, flowsheet, _system_loaded
+    sys = create_system()
+    tea = sys.TEA
+    lca = sys.LCA
+    flowsheet = sys.flowsheet
+    _system_loaded = True
+    dct = globals()
+    dct.update(sys.flowsheet.to_dict())
+
+def __getattr__(name):
+    if not _components_loaded or not _system_loaded:
+        raise AttributeError(
+            f'Module {__name__} does not have the attribute "{name}" '
+            'and the module has not been loaded, '
+            f'loading the module with `{__name__}.load()` may solve the issue.')
+
+
+
+__all__ = (
+    'biobinder_path',
+    'data_path',
+    'results_path',
+    *_components.__all__,
+    *_process_settings.__all__,
+    *_units.__all__,
+    *systems.__all__,
+)

exposan/biobinder/_components.py

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+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+'''
+EXPOsan: Exposition of sanitation and resource recovery systems
+
+This module is developed by:
+
+    Yalin Li <mailto.yalin.li@gmail.com>
+    
+This module is under the University of Illinois/NCSA Open Source License.
+Please refer to https://github.com/QSD-Group/EXPOsan/blob/main/LICENSE.txt
+for license details.
+'''
+
+from qsdsan import Components, set_thermo as qs_set_thermo
+from exposan.saf import create_components as create_saf_components
+
+__all__ = ('create_components',)
+
+def create_components(set_thermo=True):
+    saf_cmps = create_saf_components(set_thermo=False)
+    biobinder_cmps = Components([i for i in saf_cmps])
+
+    biobinder_cmps.compile()
+    biobinder_cmps.set_alias('H2O', 'Water')
+    biobinder_cmps.set_alias('H2O', '7732-18-5')
+    biobinder_cmps.set_alias('Carbohydrates', 'Carbs')
+    biobinder_cmps.set_alias('C', 'Carbon')
+    biobinder_cmps.set_alias('N', 'Nitrogen')
+    biobinder_cmps.set_alias('P', 'Phosphorus')
+    biobinder_cmps.set_alias('K', 'Potassium')
+    biobinder_cmps.set_alias('C16H34', 'Biofuel') # Tb = 559 K
+    biobinder_cmps.set_alias('TRICOSANE', 'Biobinder') # Tb = 654 K
+
+    if set_thermo: qs_set_thermo(biobinder_cmps)
+
+    return biobinder_cmps

exposan/biobinder/_process_settings.py

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+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+'''
+EXPOsan: Exposition of sanitation and resource recovery systems
+
+This module is developed by:
+    
+    Yalin Li <mailto.yalin.li@gmail.com>
+    
+    Ali Ahmad <aa3056@scarletmail.rutgers.edu>
+    
+This module is under the University of Illinois/NCSA Open Source License.
+Please refer to https://github.com/QSD-Group/EXPOsan/blob/main/LICENSE.txt
+for license details.
+'''
+
+from exposan.saf import _process_settings
+from exposan.saf._process_settings import *
+
+__all__ = [i for i in _process_settings.__all__ if i is not 'dry_flowrate']
+__all__.extend(['central_dry_flowrate', 'pilot_dry_flowrate'])
+
+moisture = 0.7566
+ash = (1-moisture)*0.0571
+feedstock_composition = {
+    'Water': moisture,
+    'Lipids': (1-moisture)*0.6245,
+    'Proteins': (1-moisture)*0.0238,
+    'Carbohydrates': (1-moisture)*0.2946,
+    'Ash': ash,
+    }
+
+central_dry_flowrate = dry_flowrate # 110 tpd converted to kg/hr
+pilot_dry_flowrate = 11.46 # kg/hr
+
+# Salad dressing waste
+HTL_yields = {
+    'gas': 0.1756,
+    'aqueous': 0.2925,
+    'biocrude': 0.5219,
+    'char': 1-0.1756-0.2925-0.5219,
+    }
+
+# https://idot.illinois.gov/doing-business/procurements/construction-services/transportation-bulletin/price-indices.html
+# bitumnous, IL
+price_dct['biobinder'] = 0.67

exposan/biobinder/_to_be_removed/_components.py

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+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+'''
+EXPOsan: Exposition of sanitation and resource recovery systems
+
+This module is developed by:
+
+    Yalin Li <mailto.yalin.li@gmail.com>
+    
+This module is under the University of Illinois/NCSA Open Source License.
+Please refer to https://github.com/QSD-Group/EXPOsan/blob/main/LICENSE.txt
+for license details.
+'''
+
+from qsdsan import Component, Components, set_thermo as qs_set_thermo
+# from exposan.utils import add_V_from_rho
+from exposan.saf import create_components as create_saf_components
+
+__all__ = ('create_components',)
+
+
+# def estimate_heating_values(component):
+#     '''
+#     Estimate the HHV of a component based on the Dulong's equation (MJ/kg):
+
+#         HHV [kJ/g] = 33.87*C + 122.3*(H-O/8) + 9.4*S
+
+#     where C, H, O, and S are the wt% of these elements.
+
+#     Estimate the LHV based on the HHV as:
+
+#         LHV [kJ/g] = HHV [kJ/g] – 2.51*(W + 9H)/100
+
+#     where W and H are the wt% of moisture and H in the fuel
+
+#     References
+#     ----------
+#     [1] https://en.wikipedia.org/wiki/Heat_of_combustion
+#     [2] https://www.sciencedirect.com/science/article/abs/pii/B9780128203606000072
+
+#     '''
+#     atoms = component.atoms
+#     MW = component.MW
+#     HHV = (33.87*atoms.get('C', 0)*12 +
+#            122.3*(atoms.get('H', 0)-atoms.get('O', 0)/8) +
+#            9.4*atoms.get('S', 0)*32
+#            )/MW
+#     LHV = HHV - 2.51*(9*atoms.get('H', 0)/MW)
+
+#     return HHV*MW*1000, LHV*MW*1000
+
+def create_components(set_thermo=True):
+    saf_cmps = create_saf_components(set_thermo=False)
+    biobinder_cmps = Components([i for i in saf_cmps])
+
+    # htl_cmps = htl.create_components()
+
+    # # Components in the feedstock
+    # Lipids = htl_cmps.Sludge_lipid.copy('Lipids')
+    # Proteins = htl_cmps.Sludge_protein.copy('Proteins')
+    # Carbohydrates = htl_cmps.Sludge_carbo.copy('Carbohydrates')
+    # Ash = htl_cmps.Sludge_ash.copy('Ash')
+
+    # # Generic components for HTL products
+    # Biocrude = htl_cmps.Biocrude
+    # HTLaqueous = htl_cmps.HTLaqueous
+    # Hydrochar = htl_cmps.Hydrochar
+
+    # # Components in the biocrude
+    # org_kwargs = {
+    #     'particle_size': 'Soluble',
+    #     'degradability': 'Slowly',
+    #     'organic': True,
+    #     }
+    # biocrude_dct = { # ID, search_ID (CAS#)
+    #     '1E2PYDIN':     '2687-91-4',
+    #     # 'C5H9NS':       '10441-57-3',
+    #     'ETHYLBEN':     '100-41-4',
+    #     '4M-PHYNO':     '106-44-5',
+    #     '4EPHYNOL':     '123-07-9',
+    #     'INDOLE':       '120-72-9',
+    #     '7MINDOLE':     '933-67-5',
+    #     'C14AMIDE':     '638-58-4',
+    #     'C16AMIDE':     '629-54-9',
+    #     'C18AMIDE':     '124-26-5',
+    #     'C16:1FA':      '373-49-9',
+    #     'C16:0FA':      '57-10-3',
+    #     'C18FACID':     '112-80-1',
+    #     'NAPHATH':      '91-20-3',
+    #     'CHOLESOL':     '57-88-5',
+    #     'AROAMINE':     '74-31-7',
+    #     'C30DICAD':     '3648-20-2',
+    #     }
+    # biocrude_cmps = {}
+    # for ID, search_ID in biocrude_dct.items():
+    #     cmp = Component(ID, search_ID=search_ID, **org_kwargs)
+    #     if not cmp.HHV or not cmp.LHV: 
+    #         HHV, LHV = estimate_heating_values(cmp)
+    #         cmp.HHV = cmp.HHV or HHV
+    #         cmp.LHV = cmp.LHV or LHV
+    #     biocrude_cmps[ID] = cmp
+
+    # # # Add missing properties
+    # # # http://www.chemspider.com/Chemical-Structure.500313.html?rid=d566de1c-676d-4064-a8c8-2fb172b244c9
+    # # C5H9NS = biocrude_cmps['C5H9NS']
+    # # C5H9NO = Component('C5H9NO')
+    # # C5H9NS.V.l.add_method(C5H9NO.V.l)
+    # # C5H9NS.copy_models_from(C5H9NO) #!!! add V.l.
+    # # C5H9NS.Tb = 273.15+(151.6+227.18)/2 # avg of ACD and EPIsuite
+    # # C5H9NS.Hvap.add_method(38.8e3) # Enthalpy of Vaporization, 38.8±3.0 kJ/mol
+    # # C5H9NS.Psat.add_method((3.6+0.0759)/2*133.322) # Vapour Pressure, 3.6±0.3/0.0756 mmHg at 25°C, ACD/EPIsuite
+    # # C5H9NS.Hf = -265.73e3 # C5H9NO, https://webbook.nist.gov/cgi/cbook.cgi?ID=C872504&Mask=2
+
+    # # Rough assumption based on the formula
+    # biocrude_cmps['7MINDOLE'].Hf = biocrude_cmps['INDOLE'].Hf
+    # biocrude_cmps['C30DICAD'].Hf = biocrude_cmps['CHOLESOL'].Hf
+
+    # # Components in the aqueous product
+    # H2O = htl_cmps.H2O
+    # C = Component('C', search_ID='Carbon', particle_size='Soluble',
+    #               degradability='Undegradable', organic=False)
+    # N = Component('N', search_ID='Nitrogen', particle_size='Soluble',
+    #               degradability='Undegradable', organic=False)
+    # NH3 = htl_cmps.NH3
+    # P = Component('P', search_ID='Phosphorus', particle_size='Soluble',
+    #               degradability='Undegradable', organic=False)
+    # for i in (C, N, P): i.at_state('l')
+
+    # # Components in the gas product
+    # CO2 = htl_cmps.CO2
+    # CH4 = htl_cmps.CH4
+    # C2H6 = htl_cmps.C2H6
+    # O2 = htl_cmps.O2
+    # N2 = htl_cmps.N2
+
+    # # Other needed components
+    # Biofuel = htl_cmps.C16H34.copy('Biofuel') # Tb = 559 K
+    # Biobinder = htl_cmps.TRICOSANE.copy('Biobinder') # Tb = 654 K
+
+    # # Compile components
+    # biobinder_cmps = Components([
+    #     Lipids, Proteins, Carbohydrates, Ash,
+    #     Biocrude, HTLaqueous, Hydrochar,
+    #     *biocrude_cmps.values(),
+    #     H2O, C, N, NH3, P,
+    #     CO2, CH4, C2H6, O2, N2,
+    #     Biofuel, Biobinder,
+    #     ])
+
+    # for i in biobinder_cmps:
+    #     for attr in ('HHV', 'LHV', 'Hf'):
+    #         if getattr(i, attr) is None: setattr(i, attr, 0)
+    #     i.default() # default properties to those of water
+
+    biobinder_cmps.compile()
+    biobinder_cmps.set_alias('H2O', 'Water')
+    biobinder_cmps.set_alias('H2O', '7732-18-5')
+    biobinder_cmps.set_alias('Carbohydrates', 'Carbs')
+    biobinder_cmps.set_alias('C', 'Carbon')
+    biobinder_cmps.set_alias('N', 'Nitrogen')
+    biobinder_cmps.set_alias('P', 'Phosphorus')
+    biobinder_cmps.set_alias('K', 'Potassium')
+    biobinder_cmps.set_alias('C16H34', 'Biofuel') # Tb = 559 K
+    biobinder_cmps.set_alias('TRICOSANE', 'Biobinder') # Tb = 654 K
+#    Biofuel = biobinder_cmps.C16H34.copy('Biofuel') # Tb = 559 K
+#    Biobinder = saf_cmps.TRICOSANE.copy('Biobinder') # Tb = 654 K
+
+    if set_thermo: qs_set_thermo(biobinder_cmps)
+
+    return biobinder_cmps