Proposed guidelines for constructing standard names of chemistry and biological parameters in PRISM and CF

Change log:

Version 1.4 by Peter van Velthoven: various additions based on input by the ocean biogeochemists.

Previous versions:
Version 1.3 by Peter van Velthoven: modifications based on further discussions with Jonathan Gregory .
Version 1.2, 25 May 2003, modifications based on comments by Jonathan Gregory
Version 1.1, 28 february 2002, first draft

1. Abbreviations for chemical species

Only the standard_names co2, so4 and o3 are currently defined in the CF standard name guidelines. All others need to be proposed to the CF group. For consistency with all the others co2, so4 and o3 should be made obsolete (provide aliases for the few that use them). They should be replaced by carbon_dioxide, sulfate_aerosol and ozone.
For water vapor there is no standard_name h2o, but the standard_name specific_humidity (kg/kg) has been defined in the hydrology table. Note that this is a mass_fraction or mass mixing ratio. Species quantities should preferably be archived as volume mixing ratios (mole_fraction) with canonical unit dimensionless (parts per volume). Aerosols are an exception; mass_concentration (with canonical unit kg m-3) seems more suitable for aerosols.

All standard names should be in English spelt the American way.

The atmospheric chemical species are all in one of the following categories:

The oceanic chemical species are all in category 1.1.

1.1 Abbreviations for (simple) chemical species

The following standard_names will be used to identify species in standard names:

CF standard_name Species Chemical formula
carbon_dioxide
alias:co2
Carbon dioxide * CO2
ozone
alias: o3
Ozone **, *** O3
nitrogen_oxide Nitrogen oxide NO
hydrogen_peroxide Hydrogen peroxide H2O2
methane Methane CH4
carbon_monoxide Carbon monoxide CO
nitric_acid Nitric acid HNO3
methyl_hydrogen_peroxide Methyl hydrogen peroxide CH3O2H
formaldehyde Formaldehyde CH2O
peroxy_acetyl_nitrate Peroxy acetyl nitrate (PAN) CH3C(O)O2NO2
sulfur_dioxide Sulfur dioxide SO2
dimethyl_sulfide Dimethyl sulfide (DMS) *** CH3SCH3
ammonia Ammonia NH3
ammonium Ammonium NH4
methane_sulfonic_acid Methane sulfonic acid (MSA) CH3SO2OH
hydroperoxy_radical Hydroperoxy radical HO2
methyl_peroxy_radical Methyl peroxy radical CH3O2
hydroxyl_radical Hydroxyl radical (hydroxy radical) OH
nitrogen_dioxide Nitrogen dioxide NO2
nitrate_radical Nitrate radical NO3
dinitrogen_pentoxide Dinitrogen pentoxide N2O5
_nitric_acid Nitric acid HNO3
peroxy_nitric_acid Peroxy nitric acid HNO4
peroxy_acetyl_radical Peroxy acetyl radical C2O3
oxygen_radical_in_1D_state Oxygen radical in the 1D (excited) state O(1-D)
ethane ethane C2H6
ethylene ethylene or ethene C2H4
acetylene acetylene C2H2
propane propane C3H8
propene propene C3H6
acetone acetone C3H6O
butane butane C4H10
methyl_glyoxal Methyl glyoxal CH3C(O)C(O)H
isoprene Isoprene, 2-methyl-1,3-butadiene C5H8
Additional ocean species:
phosphorus Phosphorus P
phosphate Phosphate PO4
organic_phosphate Organic phosphate PO4 with C?
silicon Silicon Si
silicate Silicate SiO3
silicic_acid Silicate SiO3
iron Iron Fe
oxygen Oxygen (atomic) O
oxygen_18 Oxygen 18 18O
molecular_oxygen Molecular oxygen O2
nitrogen Nitrogen N
nitrate Nitrate NO3-?
carbon Carbon C
inorganic_carbon Inorganic carbon C
organic_carbon Organic carbon C
carbonate Carbonate CO3-
carbon_13 Carbon 13 13C
carbon_14 Carbon 14 14C
hydrogen Hydrogen (atomic) H
calcite Calcite Ca?

* already defined in CF

** for ozone mass_fraction_of_o3_in_air and mole_fraction_of_o3_in_air have already been defined. The first is a mass mixing ratio, the second a volume mixing ratio. The atmospheric chemists prefer mass_fraction_of_ozone_in_air and mole_fraction_of_ozone_in_air as standard_names. See the list of constructs below.

*** used both in the atmosphere and the ocean (O3, DMS)

1.2 Abbreviations for chemical species: lumped species

In some chemical schemes, such as CBM IV, chemical species are lumped, i.e. a certain reaction rate is associated with a certain group of species showing similar chemical behaviour. In lumping, correctors may need to be added to get the correct chemical behaviour. The following standard_names will be used for lumped species:

CF standard name Lumped species (from the modified CBMIV-chemistry in TM) Chemical formula
paraffinic_carbon_bonds Paraffinic carbon bonds C-C
olefinic_carbon_bonds Olefinic carbon bonds  
aldehydes_higher_than_2 aldehydes with more than one C atom, Acetaldehyde (=ethanal) and higher aldehydes RCH=O (excluding the case R equals H: CH2=O, formaldehyde)
organic_peroxides lumped higher organic peroxides ROOH
organic_nitrates lumped alkyl nitrates, organic nitrates RNO3
secondary_organic_oxy_radical Secondary organic oxy radical ROR
alkyl_peroxy_radicals alkyl peroxy radicals XO2
intermediate_product_of_isoprene_oxidation intermediate product of isoprene oxidation XO2N

Here R is CH3+C2H5+... and X is CH3N+C2H5N+.. If _higher_than_2_ is included in the name, CH3 resp. CH3N are not included in the sum of compounds.
Perhaps a prefix such as cb4_ should be used to identify the lumping scheme.

1.3 Abbreviations for families of species

The following standard_names refer to families of species:

CF standard_name Family
nox NO and NO2
noy reactive nitrogen compounds (excludes n2o)
hox OH and HO2

1.4 Abbreviations for aerosols

The following standard_names refer to aerosol species:

CF standard_name Aerosol species Chemical formula
so4 should become an alias for
sulfate_aerosol
sulfate aerosol H2SO4
nitrate_aerosol nitrate aerosol HNO3
ammonium_sulfate_aerosol ammonium sulfate aerosol NH4SO4
sea_salt_aerosol sea salt aerosol NaCl
organic_aerosol_from_terpenes ? Secondary aeresol formed from terpenes ? (check with MPI)  
organic_carbon_aerosol organic carbon aerosol  
hydrophobic_organic_carbon_aerosol hydrophobic organic carbon aerosol  
hydrophylic_organic_carbon_aerosol hydrophylic organic carbon aerosol  
black_carbon_aerosol black carbon aerosol  
hydrophylic_black_carbon_aerosol hydrophylic black carbon aerosol  
hydrophobic_black_carbon_aerosol hydrophobic black carbon aerosol  
dust_aerosol dust aerosol  

2. Abbreviations for biological ocean species

CF standard_name Biological acronym
phytoplankton  
nanophytoplankton  
microzooplankton  
zooplankton  
mesozooplankton  
diatoms  
coccolithophorid cocco
sediment  
detritus POC, calcium, opal
chlorophyll Clf

3. Constructing new standard names

I propose the following guidelines for the construction of further standard_names of atmospheric chemistry parameters:

Construct Canonical unit
mole_fraction_of_.._in_air 1 (dimensionless, ppv)
as alias we may wish to define also
volume_mixing_ratio_of_.._in_air 1 (dimensionless, ppv)
mass_fraction_of_.._in_air 1 (dimensionless, kg/kg)
partial_pressure_of_.._in_air Pa
mass_concentration_of_.._in_air kg m-3
number_concentration_of_.._in_air m-3 (molecules or particles per m3)
mole_concentration_of_.._in_air mole m-3 (moles per m3)
dry_deposition_flux_of_.. mole m-2s-1 *
wet_deposition_flux_of_.. mole m-2s-1*
surface_emission_of_.. mole m-2s-1 *
volume_emission_of_.._in_air mole m-3s-1 *
chemical_production_of_.._in_air_due_to_..** s-1 (ppv/hr)
chemical_loss_of_..in_air_due_to_..** s-1 (ppv/hr)
gross_chemical_production_of_.._in_air s-1 (ppv/hr)
chemical_loss_of_..in_air s-1 (ppv/hr)
net_chemical_production_of_.._in air s-1 (ppv/hr)
tendency_of_mole_fraction_of_.._in_air_due_to_*** s-1 (ppv/hr)
atmosphere_mole_content_of_.. **** mole m-2 (or Dobson Units, 1 DU = 2.69 x 1e20 molecules/m2)

* if fluxes would be expressed in kg/(m2s), one would have to know the atomic mass of the particular species for conversion to mass. In practice not always the same number is used for this. E.g. for NOx the mass of N and of NO2 are both sometimes used. Hence molecules/(m2s) or moles/(m2s) would seem preferable.

**reaction_of_.._with_.., photolysis, photolysis_of_..

*** advection, diffusion, convection, scavenging, evaporation, emission (the last is used for volume emissions such as from aircraft and lightning)

**** atmosphere_mole_content_of_.. has units mole m-2. Note that many other content variables have unit kg/m2 (as for so4, sulfate aerosol); see also *.

In order to describe size ranges of aerosols an extra dimension should be used.

In order to describe in-cloud processes the standard-names may need to be catenated with cloudy:

Construct
in_cloudy_air

In order to describe tracers originating from a certain atmospheric compartment use the following construct:

Standard name Example Variable
mole_fraction_of_compartment_.. mole_fraction_of_stratospheric_ozone stratospheric ozone tracer, ozone from the stratosphere
Note that _in_air is now omitted.

The following are guidelines for the construction of further standard names of oceanic chemistry and biological parameters:

Construct Canonical unit
mole_concentration_of_.._in_sea_water mole m-3
ocean_mole_content_of_.. mole m-2
surface_mole_concentration_of_.._in_sea_water mole m-3
mole_concentration_of_.._dissolved_in_sea_water mole m-3
mole_concentration_of_particulate_.._in_sea_water mole m-3
mole_concentration_of_.._in_ocean_sediment_pores mole m-3
surface_mole_concentration_of_.._in_diatoms_in_sea_water
surface_mole_concentration_of_.._in_coccolithorid_in_sea_water
surface_mole_concentration_of_.._in_nanophytoplankton_in_sea_water
mole m-3
tendency_of_mole_concentration_of_.._in_sea_water_due_to.. mole m-3 s-1

4. Chemical variables/properties

Standard name Meaning Canonical unit
alkalinity mu eq / L
acidity acidity, Ph