make HVC recycling ready for pathway, minor edits

config.default.yaml

@@ -275,7 +275,7 @@ industry:
   HVC_chemical_recycling_fraction: 0. # fraction of today's HVC produced via chemical recycling
   HVC_production_today: 52. # MtHVC/a from DECHEMA (2017), Figure 16, page 107; includes ethylene, propylene and BTX
   MWh_elec_per_tHVC_mechanical_recycling: 0.547 # from SI of https://doi.org/10.1016/j.resconrec.2020.105010, Table S5, for HDPE, PP, PS, PET. LDPE would be 0.756.
-  MWh_elec_per_tHVC_chemical_recycling: 6.9 # Material Economics (2019), page 125; based on pyrolysis and steam cracking
+  MWh_elec_per_tHVC_chemical_recycling: 6.9 # Material Economics (2019), page 125; based on pyrolysis and electric steam cracking
   chlorine_production_today: 9.58 # MtCl/a from DECHEMA (2017), Table 7, page 43
   MWh_elec_per_tCl: 3.6 # DECHEMA (2017), Table 6, page 43
   MWh_H2_per_tCl: -0.9372  # DECHEMA (2017), page 43; negative since hydrogen produced in chloralkali process

doc/release_notes.rst

@@ -69,6 +69,7 @@ Future release
 * The transformation of the Steel and Aluminium production can be now defined for different years in the ``config.yaml`` file.
 * Include the option to alter the maximum energy capacity of a store via the ``carrier+factor`` in the ``{sector_opts}`` wildcard. This can be useful for sensitivity analyses. Example: ``co2 stored+e2`` multiplies the ``e_nom_max`` by factor 2. In this example, ``e_nom_max`` represents the CO2 sequestration potential in Europe.
 * Compatibility with ``xarray`` version 0.19.
+* Separate basic chemicals into HVC, chlorine, methanol and ammonia [`#166 <https://github.com/PyPSA/PyPSA-Eur-Sec/pull/166>`_].
 
 PyPSA-Eur-Sec 0.5.0 (21st May 2021)
 ===================================

scripts/build_industrial_energy_demand_per_country_today.py

@@ -103,6 +103,7 @@ def add_ammonia_energy_demand(demand):
     demand['Basic chemicals (without ammonia)'] = demand["Basic chemicals"] - demand["Ammonia"]
 
     demand['Basic chemicals (without ammonia)'].clip(lower=0, inplace=True)
+
     demand.drop(columns='Basic chemicals', inplace=True)
 
     return demand

scripts/build_industrial_production_per_country.py

@@ -180,7 +180,7 @@ def industry_production(countries):
 
 
 def separate_basic_chemicals(demand):
-    """Remove ammonia, chlorine and methanol from basic chemicals to get HVC."""
+    """Separate basic chemicals into ammonia, chlorine, methanol and HVC."""
 
     ammonia = pd.read_csv(snakemake.input.ammonia_production, index_col=0)
 
@@ -189,7 +189,7 @@ def separate_basic_chemicals(demand):
 
     print("Following countries have no ammonia demand:", missing)
 
-    demand.insert(2, "Ammonia", 0.)
+    demand["Ammonia"] = 0.
 
     demand.loc[there, "Ammonia"] = ammonia.loc[there, str(year)]
 
@@ -198,14 +198,11 @@ def separate_basic_chemicals(demand):
     # EE, HR and LT got negative demand through subtraction - poor data
     demand['Basic chemicals'].clip(lower=0., inplace=True)
 
-    demand.insert(2, "HVC", 0.)
-    demand.insert(3, "Chlorine", 0.)
-    demand.insert(4, "Methanol", 0.)
-
     # assume HVC, methanol, chlorine production proportional to non-ammonia basic chemicals
-    demand["HVC"] = config["HVC_production_today"]*1e3/demand["Basic chemicals"].sum()*demand["Basic chemicals"]
-    demand["Chlorine"] = config["chlorine_production_today"]*1e3/demand["Basic chemicals"].sum()*demand["Basic chemicals"]
-    demand["Methanol"] = config["methanol_production_today"]*1e3/demand["Basic chemicals"].sum()*demand["Basic chemicals"]
+    distribution_key = demand["Basic chemicals"] / demand["Basic chemicals"].sum()
+    demand["HVC"] = config["HVC_production_today"] * 1e3 * distribution_key
+    demand["Chlorine"] = config["chlorine_production_today"] * 1e3 * distribution_key
+    demand["Methanol"] = config["methanol_production_today"] * 1e3 * distribution_key
 
     demand.drop(columns=["Basic chemicals"], inplace=True)
 

scripts/build_industrial_production_per_country_tomorrow.py

@@ -43,10 +43,10 @@ if __name__ == '__main__':
     production[key_pri] = fraction_persistent_primary * production[key_pri]
     production[key_sec] = total_aluminium - production[key_pri]
 
-    production.insert(4, "HVC (mechanical recycling)", config["HVC_mechanical_recycling_fraction"]*production["HVC"])
-    production.insert(5, "HVC (chemical recycling)", config["HVC_chemical_recycling_fraction"]*production["HVC"])
+    production["HVC (mechanical recycling)"] = get(config["HVC_mechanical_recycling_fraction"], investment_year) * production["HVC"]
+    production["HVC (chemical recycling)"] = get(config["HVC_chemical_recycling_fraction"], investment_year) * production["HVC"]
 
-    production["HVC"] *= config['HVC_primary_fraction']
+    production["HVC"] *= get(config['HVC_primary_fraction'], investment_year)
 
     fn = snakemake.output.industrial_production_per_country_tomorrow
     production.to_csv(fn, float_format='%.2f')

scripts/build_industry_sector_ratios.py

@@ -377,7 +377,7 @@ def chemicals_industry():
     assert s_emi.index[0] == sector
 
     # convert from MtHVC/a to ktHVC/a
-    s_out = config["HVC_production_today"]*1e3
+    s_out = config["HVC_production_today"] * 1e3
 
     # tCO2/t material
     df.loc["process emission", sector] += (
@@ -396,9 +396,8 @@ def chemicals_industry():
     sources = ["elec", "biomass", "methane", "hydrogen", "heat", "naphtha"]
     df.loc[sources, sector] *= toe_to_MWh
 
-    # subtract ammonia energy demand
+    # subtract ammonia energy demand (in ktNH3/a)
     ammonia = pd.read_csv(snakemake.input.ammonia_production, index_col=0)
-    # ktNH3/a
     ammonia_total = ammonia.loc[ammonia.index.intersection(eu28), str(year)].sum()
     df.loc["methane", sector] -= ammonia_total * config["MWh_CH4_per_tNH3_SMR"]
     df.loc["elec", sector] -= ammonia_total * config["MWh_elec_per_tNH3_SMR"]
@@ -416,8 +415,7 @@ def chemicals_industry():
     # MWh/t material
     df.loc[sources, sector] = df.loc[sources, sector] / s_out
 
-    to_rename = {sector: "HVC"}
-    df.rename(columns=to_rename, inplace=True)
+    df.rename(columns={sector: "HVC"}, inplace=True)
 
     # HVC mechanical recycling