Merge branch 'main' into bsm2

QSD-Group · Oct 15, 2024 · b9cffb5 · b9cffb5
2 parents 405a86d + a8254c3
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diff --git a/exposan/htl/README.rst b/exposan/htl/README.rst
@@ -198,4 +198,4 @@ Getting Started
 
 References
 ----------
-.. [1] Feng et al., Characterizing the Opportunity Space for Sustainable Hydrothermal Valorization of Wet Organic Wastes. *Environmental Science and Technology*, *In revision*
+.. [1] Feng, J.; Li, Y.; Strathmann, T. J.; Guest, J. S. Characterizing the Opportunity Space for Sustainable Hydrothermal Valorization of Wet Organic Wastes. *Environ. Sci. Technol.* **2024**, *58* (5), 2528–2541. https://doi.org/10.1021/acs.est.3c07394.
diff --git a/exposan/htl/_components.py b/exposan/htl/_components.py
@@ -130,15 +130,18 @@ def create_components(set_thermo=True):
     H2O = Component('H2O', particle_size='Soluble',
                     degradability='Undegradable', organic=False)
 
-    # Intentionally using the molecular formula and MW of water for C/N/P
+    # intentionally using the molecular formula and MW of water for C/N/P
     C = Component('C', search_ID='water', particle_size='Soluble',
                   degradability='Undegradable', organic=False)
+    C._CAS = 'C'
 
     N = Component('N', search_ID='water', particle_size='Soluble',
                   degradability='Undegradable', organic=False)
+    N._CAS = 'N'
 
     P = Component('P', search_ID='water', particle_size='Soluble',
                   degradability='Undegradable', organic=False)
+    P._CAS = 'P'
 
     O2 = Component('O2', phase='g', particle_size='Dissolved gas',
                     degradability='Undegradable', organic=False)

diff --git a/exposan/htl/analyses/geospatial_analysis.py b/exposan/htl/analyses/geospatial_analysis.py
@@ -2205,15 +2205,15 @@ def add_region(position, xlabel, color):
 
 def add_rectangle(item, color, edgecolor):
     rectangle_fill = Rectangle((SA_results[f'{item}_decarbonization'].quantile(0.05), SA_results[f'{item}_biocrude'].quantile(0.05)),
-                               SA_results[f'{item}_decarbonization'].quantile(0.95) - SA_results[f'{item}_decarbonization'].quantile(0.05),
-                               SA_results[f'{item}_biocrude'].quantile(0.95) - SA_results[f'{item}_biocrude'].quantile(0.05),
-                               fc=color, alpha=0.8)
+                                SA_results[f'{item}_decarbonization'].quantile(0.95) - SA_results[f'{item}_decarbonization'].quantile(0.05),
+                                SA_results[f'{item}_biocrude'].quantile(0.95) - SA_results[f'{item}_biocrude'].quantile(0.05),
+                                fc=color, alpha=0.8)
     ax.add_patch(rectangle_fill)
 
     rectangle_edge = Rectangle((SA_results[f'{item}_decarbonization'].quantile(0.05), SA_results[f'{item}_biocrude'].quantile(0.05)),
-                               SA_results[f'{item}_decarbonization'].quantile(0.95) - SA_results[f'{item}_decarbonization'].quantile(0.05),
-                               SA_results[f'{item}_biocrude'].quantile(0.95) - SA_results[f'{item}_biocrude'].quantile(0.05),
-                               color=edgecolor, lw=3, fc='none', alpha=1)
+                                SA_results[f'{item}_decarbonization'].quantile(0.95) - SA_results[f'{item}_decarbonization'].quantile(0.05),
+                                SA_results[f'{item}_biocrude'].quantile(0.95) - SA_results[f'{item}_biocrude'].quantile(0.05),
+                                color=edgecolor, lw=3, fc='none', alpha=1)
     ax.add_patch(rectangle_edge)
 
 def add_line(item, color):

diff --git a/exposan/htl/geospatial_HTL_systems.py b/exposan/htl/geospatial_HTL_systems.py
@@ -19,6 +19,11 @@
 from biosteam.units import IsenthalpicValve
 from biosteam import settings
 
+# TODO: change all TEA and LCA data to the U.S.-based values
+# if impossible, especially for LCA: use US, then RER, then RoW, then GLO
+# also, remember to use LCA data collected for the 'cutoff' model and 'IPCC' method
+# TODO: confirm IPCC 2013 (no LT) is ok
+
 __all__ = ('create_geospatial_system','biocrude_density')
 
 biocrude_density = 980 # kg/m3, Snowden-Swan et al. 2022 SOT, PNNL