Add voc variables

pyaerocom/aeroval/glob_defaults.py

@@ -308,6 +308,17 @@
     vmrox=["OX", "3D", "Gas volume mixing ratio"],
     concco=["CO", "3D", "Particle concentration"],
     vmrco=["CO", "3D", "Volume mixing ratios"],
+    vmrhcho=["HCHO (Formaldehyde)", "3D", "Volume mixing ratios"],
+    vmrisop=["C5H8 (Isoprene)", "3D", "Volume mixing ratios"],
+    vmrc2h6=["C2H6 (Ethane)", "3D", "Volume mixing ratios"],
+    vmrc2h4=["C2H4 (Ethylene)", "3D", "Volume mixing ratios"],
+    vmrnc4h10=["nC4H10 (n-Butane)", "3D", "Volume mixing ratios"],
+    vmric4h10=["iC4H10 (2-methylpropane)", "3D", "Volume mixing ratios"],
+    vmrbenzene=["C6H6 (Benzene)", "3D", "Volume mixing ratios"],
+    vmrc10h16=["C10H16 (Alpha-Pinene)", "3D", "Volume mixing ratios"],
+    vmrch3cho=["CH3CHO (Acetaldehyde)", "3D", "Volume mixing ratios"],
+    vmrglyoxal=["Glyoxal", "3D", "Volume mixing ratios"],
+    vmrtolu=["Toluene", "3D", "Volume mixing ratios"],
     # PMs
     concpm10=["PM10", "3D", "Particle concentrations"],
     concpm25=["PM2.5", "3D", "Particle concentrations"],

pyaerocom/data/aliases.ini

@@ -49,6 +49,7 @@ dryoxs = drysox
 concss10 = concsscoarse
 concsscoarse=concss10
 vmrglyoxal = vmrglyox
+concbenzene = vmrbenzene
 
 [alias_families]
 # so far only works with beginning of name

pyaerocom/data/ebas_config.ini

@@ -399,10 +399,48 @@ matrix=precip
 component=precipitation_amount_off,precipitation_amount
 matrix=precip
 
+# VOCs
+[vmrvoc]
+component=voc_complete
+matrix=air
+
+[vmrch3cho]
+component=ethanal
+matrix=air
+
+[vmrnc4h10]
+component=n-butane
+matrix=air
+
+[vmric4h10]
+component=2-methylpropane
+matrix=air
+
+[concnc4h10]
+component=n-butane
+matrix=air
+
+[concic4h10]
+component=2-methylpropane
+matrix=air
+
+[vmrbenzene]
+component=benzene
+matrix=air
+
+[vmrc10h16]
+component=alpha-pinene
+matrix=air
+
+[vmrtolu]
+component=toluene
+matrix=air
+
 [concCocpm10]
 component=organic_carbon
 matrix=pm10
 
 [concCecpm10]
 component=elemental_carbon
-matrix=pm10
+matrix=pm10
+

pyaerocom/data/paths.ini

@@ -82,7 +82,8 @@ AERONET_INV_V3L15_DAILY = ${BASEDIR}/aerocom/aerocom1/AEROCOM_OBSDATA/Aeronet.In
 AERONET_INV_V3L2_DAILY = ${BASEDIR}/aerocom/aerocom1/AEROCOM_OBSDATA/Aeronet.Inv.V3L2.0.daily/renamed
 
 # other observations
-EBAS_MULTICOLUMN = ${BASEDIR}/aerocom/aerocom1/AEROCOM_OBSDATA/EBASMultiColumn/data
+#EBAS_MULTICOLUMN = ${BASEDIR}/aerocom/aerocom1/AEROCOM_OBSDATA/EBASMultiColumn/data
+EBAS_MULTICOLUMN = /lustre/storeB/project/aerocom/aerocom1/AEROCOM_OBSDATA/EBASMultiColumn/data
 EEA = ${BASEDIR}/aerocom/aerocom1/AEROCOM_OBSDATA/EEA_AQeRep/renamed
 EARLINET = ${BASEDIR}/aerocom/aerocom1/AEROCOM_OBSDATA/Export/Earlinet/CAMS/data
 GAWTADsubsetAasEtAl = ${BASEDIR}/aerocom/aerocom1/AEROCOM_OBSDATA/PYAEROCOM/GAWTADSulphurSubset/data

pyaerocom/data/variables.ini

@@ -3150,9 +3150,9 @@ var_name = vmrch3cho
 description = acetaldehyde Volume Mixing Ratio
 standard_name = mole_fraction_of_acetaldehyde_in_air
 var_type = volume mixing ratios
-unit = mol mol-1
-minimum = 0
-maximum = 0.1
+unit = nmol mol-1
+minimum = -1e12
+maximum = 1e12
 dimensions = time,lat,lon
 comments_and_purpose = Verification of VOC speciation/chemistry
 
@@ -3204,9 +3204,9 @@ var_name = vmrtolu
 description = toluene Volume Mixing Ratio
 standard_name = mole_fraction_of_toluene_in_air
 var_type = volume mixing ratios
-unit = mol mol-1
-minimum = 0
-maximum = 0.1
+unit = nmol mol-1
+minimum = -1e12
+maximum = 1e12
 dimensions = time,lat,lon
 comments_and_purpose = Verification of VOC speciation/chemistry
 
@@ -3237,7 +3237,7 @@ var_name = vmrc10h16
 description = alpha-pinene Volume Mixing Ratio
 standard_name = mole_fraction_of_alpha_pinene_in_air
 var_type = volume mixing ratios
-unit = mol mol-1
+unit = nmol mol-1
 minimum = 0
 maximum = 0.1
 dimensions = time,lat,lon
@@ -5320,7 +5320,7 @@ unit = m s-1
 minimum = -150
 maximum = 150
 dimensions = time,lev,station
-comments_and_purpose = For physics evaluation and chemistry interpretation above stations' locations.
+comments_and_purpose = For physics evaluation and chemistry interpretation above stations locations.
 
 [wa]
 var_name = wa
@@ -5331,7 +5331,75 @@ unit = m s-1
 minimum = -150
 maximum = 150
 dimensions = time,lev,station
-comments_and_purpose = For physics evaluation and chemistry interpretation above stations' locations.
+comments_and_purpose = For physics evaluation and chemistry interpretation above stations locations.
+
+[vmrbenzene]
+var_name = vmrbenzene
+description =  mole_fraction_of_benzene_in_air
+standard_name = benzene
+var_type = volume mixing ratios
+unit = nmol mol-1
+minimum = -1e12
+maximum = 1e12
+dimensions = time, lat, lon
+comments_and_purpose =  Verification of VOC speciation/chemistry.
+
+[concbenzene]
+var_name = concbenzene
+description =  concentration_of_benzene_in_air
+standard_name = benzene
+var_type = mass concentration
+unit = ug m-3
+minimum = -1e12
+maximum = 1e12
+dimensions = time, lat, lon
+comments_and_purpose =  Verification of VOC speciation/chemistry.
+
+
+[vmrnc4h10]
+var_name = vmrnc4h10
+description =  mole_fraction_of_n-butane_in_air
+standard_name = n-butane
+var_type = volume mixing ratios
+unit = nmol mol-1
+minimum = -1e12
+maximum = 1e12
+dimensions = time, lat, lon
+comments_and_purpose =  Verification of VOC speciation/chemistry.
+
+[vmric4h10]
+var_name = vmric4h10
+description =  mole_fraction_of_2-methylpropane_in_air
+standard_name = 2-methylpropane
+var_type = volume mixing ratios
+unit = nmol mol-1
+minimum = -1e12
+maximum = 1e12
+dimensions = time, lat, lon
+comments_and_purpose =  Verification of VOC speciation/chemistry.
+
+[concnc4h10]
+var_name= concnc4h10
+description =  concentration_of_i-butane_in_air
+standard_name = n-butane
+var_type = mass concentration
+unit = ug S m-3
+minimum = -1e12
+maximum = 1e12
+dimensions = time, lat, lon
+comments_and_purpose =  Verification of VOC speciation/chemistry.
+
+[concic4h10]
+var_name= concic4h10
+description =  concentration_of_i-butane_in_air
+standard_name = 2-methylpropane
+var_type = mass concentration
+unit = ug S m-3
+minimum = -1e12
+maximum = 1e12
+dimensions = time, lat, lon
+comments_and_purpose =  Verification of VOC speciation/chemistry.
+
 
 [ratpm10pm25]
 description = ratio of pm10 and pm25
@@ -5346,3 +5414,4 @@ unit = 1
 minimum = -150
 maximum = 150
 dimensions = time,lat,lon
+

pyaerocom/io/read_eea_aqerep_base.py

@@ -76,6 +76,8 @@ class ReadEEAAQEREPBase(ReadUngriddedBase):
     VAR_NAMES_FILE["vmro3"] = "concentration"
     VAR_NAMES_FILE["vmro3max"] = "concentration"
     VAR_NAMES_FILE["vmrno2"] = "concentration"
+    VAR_NAMES_FILE["concbenzene"] = "concentration"
+    VAR_NAMES_FILE["vmrbenzene"] = "concentration"
 
     VAR_NAMES_FILE["concSso2"] = "concentration"
     VAR_NAMES_FILE["concNno"] = "concentration"
@@ -102,6 +104,8 @@ class ReadEEAAQEREPBase(ReadUngriddedBase):
         concco="**/??_10_*_timeseries.csv*",
         concno="**/??_38_*_timeseries.csv*",
         concpm25="**/??_6001_*_timeseries.csv*",
+        concbenzene="**/??_20_*_timeseries.csv*",
+        vmrbenzene="**/??_20_*_timeseries.csv*",
         concSso2="**/??_1_*_timeseries.csv*",
         concNno2="**/??_8_*_timeseries.csv*",
         concNno="**/??_38_*_timeseries.csv*",
@@ -122,6 +126,7 @@ class ReadEEAAQEREPBase(ReadUngriddedBase):
     CONV_FACTOR["vmrno2"] = np.float_(
         0.514
     )  # retrieved using STD atmosphere from geonum and pya.mathutils.concx_to_vmrx
+    CONV_FACTOR["vmrbenzene"] = np.float_(1.0 / 3.2430)
 
     # unit of the converted property after the conversion
     CONV_UNIT = {}
@@ -131,7 +136,7 @@ class ReadEEAAQEREPBase(ReadUngriddedBase):
     CONV_UNIT["vmro3"] = "ppb"
     CONV_UNIT["vmro3max"] = "ppb"
     CONV_UNIT["vmrno2"] = "ppb"
-
+    CONV_UNIT["vmrbenzene"] = "ppb"
     #: field name of the start time of the measurement (in lower case)
     START_TIME_NAME = "datetimebegin"
 
@@ -147,6 +152,7 @@ class ReadEEAAQEREPBase(ReadUngriddedBase):
     VAR_CODES["10"] = "concco"
     VAR_CODES["38"] = "concno"
     VAR_CODES["6001"] = "concpm25"
+    VAR_CODES["20"] = "concbenzene"
 
     #: column name that holds the EEA variable code
     VAR_CODE_NAME = "airpollutantcode"
@@ -198,12 +204,14 @@ class ReadEEAAQEREPBase(ReadUngriddedBase):
         "concNno2": ["concno2"],
         "concNno": ["concno"],
         "concSso2": ["concso2"],
+        "vmrbenzene": ["concbenzene"],
     }
 
     AUX_FUNS = {
         "vmro3": NotImplementedError(),
         "vmro3max": NotImplementedError(),
         "vmrno2": NotImplementedError(),
+        "vmrbenzene": NotImplementedError(),
         "concNno2": NotImplementedError(),
         "concNno": NotImplementedError(),
         "concSso2": NotImplementedError(),

pyaerocom/plugins/mscw_ctm/emep_variables.toml

@@ -53,6 +53,8 @@ concbcc = "SURF_ug_ECCOARSE"
 concbcf = "SURF_ug_ECFINE"
 concdust = "SURF_ug_DUST"
 conchno3 = "SURF_ug_HNO3"
+concnc4h10= "SURF_ug_NC4H10_T"
+concic4h10= "SURF_ug_IC4H10_T"
 concnh3 = "SURF_ug_NH3"
 concnh4 = "SURF_ug_NH4_F"
 concnh4coarse = "SURF_ug_NH4_F"
@@ -78,15 +80,22 @@ concssf = "SURF_ug_SEASALT_F"
 concssc = "SURF_ug_SEASALT_C"
 concCocpm25 = "SURF_ugC_PM_OM25"
 concecpm25 = "SURF_ug_ECFINE"
+vmrc10h16= "SURF_ppb_APINENE"
 vmro32m = "SURF_2MO3"
 vmro3max = "SURF_MAXO3"
 vmro3 = "SURF_ppb_O3"
 vmrco = "SURF_ppb_CO"
 vmrc2h6 = "SURF_ppb_C2H6"
 vmrc2h4 = "SURF_ppb_C2H4"
+vmrbenzene= "SURF_ppb_BENZENE"
+vmrch3cho= "SURF_ppb_CH3CHO"
 vmrhcho = "SURF_ppb_HCHO"
+vmrnc4h10= "SURF_ppb_NC4H10_T"
+vmric4h10= "SURF_ppb_IC4H10_T"
 vmrglyoxal = "SURF_ppb_GLYOX"
 vmrisop = "SURF_ppb_C5H8"
+vmrtolu= "SURF_ppb_TOLUENE"
+vmrvoc= "SURF_ppbC_VOC"
 wetbc = "WDEP_EC"
 wetdust = "WDEP_DUST"
 wetnh4 = "WDEP_NH4_f"

pyaerocom/plugins/mscw_ctm/reader.py

@@ -84,6 +84,7 @@ class ReadMscwCtm:
         # "vmrox": ["concno2", "vmro3"],
         "vmrox": ["concno2", "conco3"],
         "vmrno2": ["concno2"],
+        # "concbenzene": ["vmrbenezene"],
         "concNtno3": ["concoxn"],
         "concNtnh": ["concrdn"],
         # "concNtno3": ["conchno3", "concno3f", "concno3c"],

pyaerocom/units_helpers.py

@@ -58,6 +58,10 @@
         # ["concnh4", "ug N/m3", "ug m-3", M_NH4 / M_N],
         ["wetso4", "kg S/ha", "kg m-2", M_SO4 / M_S / HA_TO_SQM],
         ["concso4pr", "mg S/L", "g m-3", M_SO4 / M_S],
+        # ["vmrbenzene", "ppb", "ug m-3", 3.2430], # Source (EC): https://uk-air.defra.gov.uk/assets/documents/reports/cat06/0502160851_Conversion_Factors_Between_ppb_and.pdf
+        ["vmrbenzene", "ppb", "nmol mol-1", 1.0],
+        ["vmrbenzene", "pmol mol -1", "ppb", 1000.],
+        ["concbenzene", "ppb", "ug m-3", 3.2430]
     ],
     columns=["var_name", "from", "to", "fac"],
 ).set_index(["var_name", "from"])