Hi again,
here is the association of chemical compounds with the various emission sectors proposed in our last email. New species which have no standard_name assigned yet are marked with a *.
1) sector: energy_production_and_distribution
X = carbon_monoxide, methane, ammonia, nitrogen_monoxide, sulfur_dioxide, black_carbon_dry_aerosol, * particulate_organic_matter_dry_aerosol_expressed_as_carbon, * nmvoc, * alcohols, ethane, propane, butane, * pentane, (* hexane_and_higher_alkanes), ethene, propene, ethyne, benzene, toluene, xylene, * trimethylbenzene, formaldehyde, * ketones, * organic_acids
2) sector: industrial_processes_and_combustion
X = carbon_monoxide, methane, ammonia, nitrogen_monoxide, sulfur_dioxide, black_carbon_dry_aerosol, * particulate_organic_matter_dry_aerosol_expressed_as_carbon, * nmvoc, * alcohols, ethane, propane, butane, * pentane, (* hexane_and_higher_alkanes), ethene, propene, ethyne, benzene, toluene, xylene, formaldehyde, * ketones, * organic_acids
3) sector: residential_and_commercial_combustion
X = carbon_monoxide, methane, ammonia, nitrogen_monoxide, sulfur_dioxide, black_carbon_dry_aerosol, * particulate_organic_matter_dry_aerosol_expressed_as_carbon, * nmvoc, * alcohols, ethane, propane, butane, * pentane, (* hexane_and_higher_alkanes), ethene, propene, ethyne, benzene, toluene, xylene, * ethers, formaldehyde, * ketones, * organic_acids
4) sector: solvent_production_and_use
X = carbon_monoxide, * nmvoc, * alcohols, (* hexane_and_higher_alkanes), toluene, xylene, * esters, * ethers, * chlorinated_hydrocarbons, * ketones
5) sector: agricultural_production
X = carbon_monoxide, methane, ammonia, nitrogen_monoxide, * nmvoc, * alcohols, ethane, propane, butane, * pentane, (* hexane_and_higher_alkanes), ethene, propene, ethyne, benzene, toluene, xylene, * ethers, formaldehyde, * ketones, * organic_acids
6) sector: agricultural_waste_burning
X = carbon_monoxide, methane, ammonia, nitrogen_monoxide, sulfur_dioxide, black_carbon_dry_aerosol, * particulate_organic_matter_dry_aerosol_expressed_as_carbon, * nmvoc, * alcohols, ethane, propane, butane, * pentane, (* hexane_and_higher_alkanes), ethene, propene, ethyne, benzene, toluene, xylene, formaldehyde, * ketones, * organic_acids
7) sector: waste_treatment_and_disposal
X = carbon_monoxide, methane, nitrogen_monoxide, sulfur_dioxide, black_carbon_dry_aerosol, * particulate_organic_matter_dry_aerosol_expressed_as_carbon, * nmvoc, * alcohols, ethane, propane, butane, * pentane, (* hexane_and_higher_alkanes), ethene, propene, ethyne, benzene, toluene, xylene, * esters, * ethers, * chlorinated_hydrocarbons, formaldehyde, * ketones, * organic_acids
8) sector: forest_fires
X = carbon_monoxide, methane, ammonia, nitrogen_monoxide, sulfur_dioxide, black_carbon_dry_aerosol, * particulate_organic_matter_dry_aerosol_expressed_as_carbon, * nmvoc, * alcohols, ethane, propane, butane, * pentane, (* hexane_and_higher_alkanes), ethene, propene, ethyne, isoprene, terpenes, benzene, toluene, xylene, * ethers, * chlorinated_hydrocarbons, formaldehyde, * ketones, * organic_acids
9) sector: savanna_and_grassland_fires
X = carbon_monoxide, methane, ammonia, nitrogen_monoxide, sulfur_dioxide, black_carbon_dry_aerosol, * particulate_organic_matter_dry_aerosol_expressed_as_carbon, * nmvoc, * alcohols, ethane, propane, butane, * pentane, (* hexane_and_higher_alkanes), ethene, propene, ethyne, isoprene, terpenes, benzene, toluene, xylene, * ethers, * chlorinated_hydrocarbons, formaldehyde, * ketones, * organic_acids
10) sector: land_transport
X = carbon_monoxide, methane, ammonia, nitrogen_monoxide, sulfur_dioxide, black_carbon_dry_aerosol, * particulate_organic_matter_dry_aerosol_expressed_as_carbon, * nmvoc, ethane, propane, butane, * pentane, (* hexane_and_higher_alkanes), ethene, propene, ethyne, benzene, toluene, xylene, * esters, * ethers, * chlorinated_hydrocarbons, formaldehyde, * ketones
11) sector: maritime_transport
X = carbon_monoxide, methane, nitrogen_monoxide, sulfur_dioxide, black_carbon_dry_aerosol, * particulate_organic_matter_dry_aerosol_expressed_as_carbon, * nmvoc, ethane, propane, butane, * pentane, (* hexane_and_higher_alkanes), ethene, propene, ethyne, toluene, xylene,
12) sector: aviation
X = nitrogen_monoxide, nitrogen_dioxide, black_carbon_dry_aerosol
Notes:
a) it seems like the definition of "black_carbon" is not always included in the term definitions
b) nmvoc is not "expressed_as_carbon" - instead the total mass content is given (it's the practice of reporting)
c) * alcohols need to be defined: "Alcohols include all organic compounds with an alcoholic group."
d) * pentane needs to be defined: "The chemical formula for pentane is C5H12. Pentane is a member of the group of hydrocarbons known as alkanes. There are standard names for the alkane group as well as for some of the individual species."
e) * hexane_and_higher_alkanes: this is one of the lumped groups that had been discussed two years ago. We cannot adopt the general term "alkanes", because alkanes < C6 are listed explicitly and it would be misleading. Might be best to open a new discussion thread on this issue(?)
f) there are also compound mixes named "other_alkenes_and_alkynes", "other_aromatics", "other_alkanals" and "other_voc" (GEIA VOC groups) -- we propose to not add these to the standard_name table due to the ambiguity of the definition.
g) * trimethylbenzene needs to be defined: "The chemical formula for trimethylbenzene is C9H12. The IUPAC names for trimethylbenzene is 1,3,5-trimethylbenzene. Trimethylbenzene is an aromatic hydrocarbon. There are standard names that refer to aromatic_compounds as a group, as well as those for individual species."
h) * esters need to be defined: "Esters in organic chemistry are chemical compounds derived by reacting an oxoacid with a hydroxyl compound such as an alcohol or phenol. Esters are usually derived from an inorganic acid or organic acid in which at least one -OH (hydroxyl) group is replaced by an -O-alkyl (alkoxy) group, and most commonly from carboxylic acids and alcohols. That is, esters are formed by condensing an acid with an alcohol. In standard names "esters" is the term used to describe the group of ester species that are represented within a given model. The list of individual species that are included in a quantity having a group chemical standard name can vary between models. Where possible, the data variable should be accompanied by a complete description of the species represented, for example, by using a comment attribute." [source for first sentences: Wikipedia]
i) * ethers need to be defined: "Ethers are a class of organic compounds that contain an ether group - an oxygen atom connected to two alkyl or aryl groups - of general formula R-O-R. In standard names "ethers" is the term used to describe the group of ether species that are represented within a given model. The list of individual species that are included in a quantity having a group chemical standard name can vary between models. Where possible, the data variable should be accompanied by a complete description of the species represented, for example, by using a comment attribute." [source for first sentences: Wikipedia]
j) * chlorinated_hydrocarbons need to be defined: "Chlorinated Hydrocarbons are a group of chemicals composed of carbon, chlorine and hydrogen. As pesticides, they are also referred to by several other names, including chlorinated organics, chlorinated insecticides and chlorinated synthetics. In standard names "chlorinated_hydrocarbons" is the term used to describe the group of chlorinated hydrocarbon species that are represented within a given model. The list of individual species that are included in a quantity having a group chemical standard name can vary between models. Where possible, the data variable should be accompanied by a complete description of the species represented, for example, by using a comment attribute." [source for first sentences:
http://edis.ifas.ufl.edu/pi090]"
k) * ketones need to be defined: "In organic chemistry, a ketone is a compound with the structure RC(=O)R', where R and R' can be a variety of atoms and groups of atoms. It features a carbonyl group (C=O) bonded to two other carbon atoms. Acetone is the simplest example of a ketone. In standard names "ketones" is the term used to describe the group of ketone species that are represented within a given model. The list of individual species that are included in a quantity having a group chemical standard name can vary between models. Where possible, the data variable should be accompanied by a complete description of the species represented, for example, by using a comment attribute." [source for first sentences: Wikipedia]"
l) * organic_acids need to be defined: "An organic acid is an organic compound with acidic properties. The most common organic acids are the carboxylic acids, whose acidity is associated with their carboxyl group -COOH. In standard names "organic_acids" is the term used to describe the group of organic acid species that are represented within a given model. The list of individual species that are included in a quantity having a group chemical standard name can vary between models. Where possible, the data variable should be accompanied by a complete description of the species represented, for example, by using a comment attribute." [source for first sentences: Wikipedia]""
Best regards
Martin and Angelika
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Received on Wed Jun 08 2011 - 03:06:04 BST
