update htl system, add README file, update test results

exposan/htl/README.rst

@@ -0,0 +1,200 @@
+=============================================================================================
+htl: Hydrothermal Liquefaction-based Wet Organic Waste Management / Biofuel Production System
+=============================================================================================
+
+Summary
+-------
+This module includes a hydrothermal liquefaction (HTL)-based system for wet organic waste management and biofuel production, as described in
+Feng et al. [1]_
+
+Key sanunits included in this module include:
+
+  - hydrothermal liquefaction (``HydrothermalLiquefaction``)
+  - catalytic hydrothermal gasification (``CatalyticHydrothermalGasification``)
+  - hydrotreating (``Hydrotreaing``)
+  - hydrocracking (``Hydrocracking``)
+  - combined heat and power unit (``CombinedHeatPower``)
+
+Feedstocks for the htl system are characterized by their moisture content and biochemical compositions (ash, lipid, protein, carbohydrate).
+Tested feedstocks include:
+
+  - wastewater sludge/biosolid
+  - food waste
+  - fats, oils, greases (FOG)
+  - green waste (a.k.a. yard waste)
+  - animal manure
+
+The products of this system include:
+
+  - struvite
+  - ammonium sulfate
+  - naphtha
+  - renewable diesel
+  - electricity
+
+The system has three different configurations:
+
+  - baseline (``configuration='baseline'``)
+  - remove phosphorus extraction from hydrochar (``configuration='no_P'``)
+  - add a pressure swing adsorption unit for hydrogen recycle (``configuration='PSA'``)
+
+An example htl system layout (``configuration='baseline'``):
+
+.. figure:: ./readme_figures/example_system.png
+
+A full list of the packages in the environment used to generate the results is included in `htl.yml <https://github.com/QSD-Group/EXPOsan/blob/pfas/exposan/htl/htl.yml>`_.
+
+Getting Started
+---------------
+.. code-block:: python
+
+    >>> # create an htl system by specifying system configuration, capacity, and feedstock's compositions:
+    >>> from exposan.htl import create_system
+    >>> sys = create_system(
+    ...     configuration='baseline',   # system configurations ('baseline','no_P','PSA')
+    ...     capacity=100,               # capacity in metric ton per day
+    ...     sludge_moisture_content=0.8,
+    ...     sludge_dw_ash_content=0.257,
+    ...     sludge_afdw_lipid_content=0.204,
+    ...     sludge_afdw_protein_content=0.463,
+    ...     )
+
+    >>> sys.show()
+    System: sys_baseline
+    ins...
+    [0] feedstock_assumed_in_wastewater  
+        phase: 'l', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): H2O  8.73e+05
+    [1] makeup_water  
+        phase: 'l', T: 298.15 K, P: 101325 Pa
+        flow: 0
+    [2] recycle  
+        phase: 'l', T: 298.15 K, P: 101325 Pa
+        flow: 0
+    [3] H2SO4  
+        phase: 'l', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): H2O    677
+                        H2SO4  6.09
+    [4] MgCl2  
+        phase: 's', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): MgCl2  0.933
+    [5] NH4Cl  
+        phase: 's', T: 298.15 K, P: 101325 Pa
+        flow: 0
+    [6] MgO  
+        phase: 's', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): MgO  1.46
+    [7] 7.8%_Ru/C  
+        phase: 's', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): CHG_catalyst  0.745
+    [8] NaOH  
+        phase: 'l', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): NaOH  0.00203
+    [9] Membrane_in  
+        phase: 'l', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): Membrane  0.0966
+    [10] H2  
+         phase: 'l', T: 298.15 K, P: 101325 Pa
+         flow (kmol/hr): H2  98.8
+    [11] CoMo_alumina_HT  
+         phase: 's', T: 298.15 K, P: 101325 Pa
+         flow (kmol/hr): HT_catalyst  0.149
+    [12] CoMo_alumina_HC  
+         phase: 's', T: 298.15 K, P: 101325 Pa
+         flow (kmol/hr): HC_catalyst  0.00532
+    [13] s3  
+         phase: 'l', T: 298.15 K, P: 101325 Pa
+         flow: 0
+    [14] natural_gas  
+         phase: 'g', T: 298.15 K, P: 101325 Pa
+         flow: 0
+    [15] air  
+         phase: 'g', T: 298.15 K, P: 101325 Pa
+         flow (kmol/hr): O2  83.4
+                         N2  314
+    outs...
+    [0] treated_water  
+        phase: 'l', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): H2O  8.72e+05
+    [1] residual  
+        phase: 's', T: 333.15 K, P: 2.08891e+07 Pa
+        flow (kmol/hr): Residual  327
+    [2] struvite  
+        phase: 's', T: 333.15 K, P: 101325 Pa
+        flow (kmol/hr): Struvite  1.98
+    [3] ammonium_sulfate  
+        phase: 'l', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): NH42SO4  4.64
+    [4] Membrane_out  
+        phase: 'l', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): Membrane  0.0966
+    [5] solution  
+        phase: 'l', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): H2O    526
+                        H2SO4  0.0898
+    [6] gasoline  
+        phase: 'l', T: 333.15 K, P: 137895 Pa
+        flow (kmol/hr): C4H10      0.00747
+                        TWOMBUTAN  0.0154
+                        NPENTAN    0.11
+                        TWOMPENTA  0.0579
+                        CYCHEX     0.0277
+                        HEXANE     0.0638
+                        TWOMHEXAN  0.0509
+                        ...        1.96
+    [7] diesel  
+        phase: 'l', T: 333.15 K, P: 128932 Pa
+        flow (kmol/hr): C9H20   0.000619
+                        C10H22  0.0833
+                        C4BENZ  0.115
+                        C11H24  0.307
+                        C10H12  0.195
+                        C12H26  0.254
+                        C13H28  0.0671
+                        ...     3.11
+    [8] CHG_catalyst_out  
+        phase: 's', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): CHG_catalyst  0.745
+    [9] HT_catalyst_out  
+        phase: 's', T: 298.15 K, P: 101325 Pa
+        flow (kmol/hr): HT_catalyst  0.149
+    [10] HC_catalyst_out  
+         phase: 's', T: 298.15 K, P: 101325 Pa
+         flow (kmol/hr): HC_catalyst  0.00532
+    [11] wastewater  
+         phase: 'l', T: 332.93 K, P: 344738 Pa
+         flow (kmol/hr): H2O  1.14e+03
+                         C    9.47
+                         N    3.84
+                         P    0.708
+    [12] emission  
+         phase: 'g', T: 298.15 K, P: 101325 Pa
+         flow (kmol/hr): H2O  115
+                         N2   314
+                         CO2  42
+    [13] solid_ash  
+         phase: 's', T: 298.15 K, P: 101325 Pa
+         flow: 0
+
+    >>> # You can look at TEA and LCA results by:
+    >>> sys.TEA
+    HTL_TEA: sys_baseline
+    NPV: -27,298,818 USD at 3.0% IRR
+
+    >>> sys.LCA
+    LCA: sys_baseline (lifetime 30 yr)
+    Impacts:
+                                        Construction  Transportation    Stream   Others     Total
+    Ecotoxicity (kg 2,4-D-eq)               6.94e+06               0  2.69e+09 1.63e+08  2.86e+09
+    OzoneDepletion (kg CFC-11-eq)              0.205               0      -104     33.9     -69.5
+    Carcinogenics (kg benzene-eq)           1.22e+05               0  2.23e+05 2.95e+06   3.3e+06
+    PhotochemicalOxidation (kg NOx-eq)      1.23e+04               0  5.33e+05 3.87e+05  9.33e+05
+    Eutrophication (kg N)                      1e+03               0 -4.62e+05 3.48e+04 -4.26e+05
+    RespiratoryEffects (kg PM2.5-eq)        1.49e+04               0   4.1e+05 2.43e+05  6.67e+05
+    Acidification (moles of H+-eq)          1.27e+06               0  1.17e+08 4.54e+07  1.63e+08
+    NonCarcinogenics (kg toluene-eq)        1.49e+08               0  7.26e+09 3.18e+09  1.06e+10
+    GlobalWarming (kg CO2-eq)               4.87e+06               0    -1e+08 4.19e+08  3.24e+08
+
+References
+----------
+.. [1] Feng et al., Characterizing the Opportunity Space for Sustainable Hydrothermal Valorization of Wet Organic Wastes. *Environmental Science and Technology*, *In revision*

exposan/htl/__init__.py

@@ -65,7 +65,6 @@ def load(configuration='baseline'):
     dct = globals()
     dct.update(sys.flowsheet.to_dict())
 
-
 def __getattr__(name):
     if not _components_loaded or not _system_loaded:
         raise AttributeError(
@@ -77,7 +76,7 @@ def __getattr__(name):
 from .models import *
 
 def simulate_and_save(model,
-                      resample=True, samples_kwargs={'N':1000, 'rule':'L', 'seed':None},
+                      resample=True, samples_kwargs={'N':1000, 'rule':'L', 'seed':3221},
                       include_spearman=True, spearman_kwargs={'nan_policy': 'omit'},
                       export_results=True, path='',notes=''):
     if resample:
@@ -98,7 +97,7 @@ def simulate_and_save(model,
     if export_results:
         ID = model.system.flowsheet.ID
         N = model.table.shape[0]
-        path = path or os.path.join(results_path, f'{date.today()}__{ID}_{N}_{notes}.xlsx')
+        path = path or os.path.join(results_path, f'{date.today()}_{ID}_{N}_{notes}.xlsx')
         with pd.ExcelWriter(path) as writer:
             parameters.to_excel(writer, sheet_name='Parameters')
             results.to_excel(writer, sheet_name='Results')
@@ -107,7 +106,6 @@ def simulate_and_save(model,
                 r_df.to_excel(writer, sheet_name='Spearman_r')
                 p_df.to_excel(writer, sheet_name='Spearman_p')
 
-
 __all__ = (
     'htl_path',
     'data_path',

exposan/htl/_components.py

@@ -100,10 +100,10 @@ def create_components(set_thermo=True):
     # made up value, so that HTL.ins[0].nu = 0.03 m2/s ~30000 cSt
     # (NREL 2013 appendix B)
 
-    Biochar = Component('Biochar', phase='s', particle_size='Particulate',
+    Hydrochar = Component('Hydrochar', phase='s', particle_size='Particulate',
                         degradability='Undegradable', organic=False)
-    add_V_from_rho(Biochar, 1500)  # assume 1500kg/m3
-    Biochar.copy_models_from(Chemical('CaCO3'),('Cn',))
+    add_V_from_rho(Hydrochar, 1500)  # assume 1500kg/m3
+    Hydrochar.copy_models_from(Chemical('CaCO3'),('Cn',))
 
     Biocrude = Component('Biocrude', search_ID='629-54-9',
                          particle_size='Soluble', degradability='Slowly',
@@ -384,7 +384,7 @@ def create_components(set_thermo=True):
     Membrane.copy_models_from(Chemical('CaCO3'),('Cn',))
 
     cmps = Components([Sludge_lipid, Sludge_protein, Sludge_carbo, Sludge_ash,
-                       Struvite, Biochar, Residual,
+                       Struvite, Hydrochar, Residual,
                        Biocrude, HTLaqueous, H2O, C, N, P,
                        O2, N2, CH4, C2H6, C3H8, CO2, CO, H2, NH3,
                        H2SO4, H3PO4, MgCl2, MgO, NaOH, NH42SO4, NH4Cl,

exposan/htl/_process_settings.py

@@ -64,7 +64,7 @@ def _load_process_settings():
 # =============================================================================
 #     set utility prices
 # =============================================================================
-    bst.PowerUtility.price = 0.06879
+    bst.PowerUtility.price = 0.06879 # !!! the electricity price can be adjusted here
 
     # # These utilities are provided by CHP thus cost already considered
     # # setting the regeneration price to 0 or not will not affect the final results