Aggregate emissions by lumped groups in chemical mechanism

Source: R/emis_chem2.R

emis_chem2 aggregates VOC emissions by chemical mechanism and convert grams to mol.

emis_chem2(df, mech, nx, na.rm = FALSE)

Arguments

df

data.frame with emissions including columns "id" and "pol".

mech

Character, "CB4", "CB05", "S99", "S7","CS7", "S7T", "S11", "S11D","S16C","S18B","RADM2", "RACM2","MOZT1", "CBMZ", "CB05opt2"

nx

Character, colnames for emissions data, for instance "V1", "V2"...

na.rm

Logical, to remove lines with NA from group

Value

data.frame with lumped groups by chemical mechanism.

Note

  • CB05: "ALD" "ALDX" "ETH" "HC3" "HC5" "HC8" "HCHO" "KET" "OL2" "OLI" "OLT" "TOL" "XYL"

  • CB05opt2: "ALD2" "ALDX" "BENZENE" "ETH" "ETHA" "FORM" "IOLE" "OLE" "PAR" "TOL" "XYL"

  • RADM2: "ALD" "ETH" "HC3" "HC5" "HC8" "HCHO" "KET" "MACR" "OL2" "OLI" "OLT" "TOL" "XYL"

  • RACM2: ACD" "ACE" "ACT" "ALD" "BALD" "BEN" "DIEN" "ETE" "ETH" "HC3" "HC5" "HC8" "HCHO" "MACR" "MEK" "OLI" "OLT" "TOL" "UALD" "XYM" "XYO" "XYP"

  • CB4: "ALD2" "ETH" "FORM" "OLE" "PAR" "TOL" "XYL"

  • S99: "ACET" "ALK1" "ALK2" "ALK3" "ALK4" "ALK5" "ARO1NBZ" "ARO2" "BALD" "BENZENE" "CCHO" "ETHENE" "HCHO" "IPROD" "MACR" "MEK" "OLE1" "OLE2" "RCHO"

  • CB4: "ACET" "ACYE" "ALK1" "ALK2" "ALK3" "ALK4" "ALK5" "ARO1" "ARO2" "BALD" "BENZ" "CCHO" "ETHE" "HCHO" "IPRD" "MACR" "MEK" "OLE1" "OLE2" "RCHO"

  • CS7: "ALK3" "ALK4" "ARO1" "ARO2" "CCHO" "ETHE" "HCHO" "IPRD" "NROG" "OLE1" "OLE2" "PRD2" "RCHO"

  • S7: "ACET" "ACYE" "ALK1" "ALK2" "ALK3" "ALK4" "ALK5" "ARO1" "ARO2" "BALD" "BENZ" "CCHO" "ETHE" "HCHO" "IPRD" "MACR" "MEK" "OLE1" "OLE2" "RCHO"

  • S7T: "13BDE" "ACET" "ACRO" "ACYE" "ALK1" "ALK2" "ALK3" "ALK4" "ALK5" "ARO1" "ARO2" "B124" "BALD" "BENZ" "CCHO" "ETHE" "HCHO" "IPRD" "MACR" "MEK" "MXYL" "OLE1" "OLE2" "OXYL" "PRPE" "PXYL" "RCHO" "TOLU"

  • S11: "ACET" "ACYL" "ALK1" "ALK2" "ALK3" "ALK4" "ALK5" "ARO1" "ARO2" "BALD" "BENZ" "CCHO" "ETHE" "HCHO" "IPRD" "MACR" "MEK" "OLE1" "OLE2" "RCHO"

  • S11D: "ACET" "ACRO" "ACYL" "ALLENE" "BALD" "BENZ" "BUTDE13" "BUTENE1" "C2BENZ" "C2BUTE" "C2PENT" "C4RCHO1" "CCHO" "CROTALD" "ETACTYL" "ETHANE" "ETHE" "HCHO" "HEXENE1" "ISOBUTEN" "M2C3" "M2C4" "M2C6" "M2C7" "M3C6" "M3C7" "MACR" "MEACTYL" "MEK" "MXYLENE" "NC1" "NC4" NC5" "NC6" "NC7" "NC8" "NC9" "OLE2" "OTH2" "OTH4" "OTH5" "OXYLENE" "PENTEN1" "PROPALD" "PROPANE" "PROPENE" "PXYLENE" "RCHO" "STYRENE" "TMB123" "TMB124" "TMB135" "TOLUENE"

  • S16C:"ACET" "ACETL" "ACRO" "ACYLS" "ALK3" "ALK4" "ALK5" "BALD" "BENZ" "BUT13" "BZ123" "BZ124" "BZ135" "C2BEN" "ETCHO" "ETHAN" "ETHEN" "HCHO" "MACR" "MECHO" "MEK" "MXYL" "NC4" "OLE1" "OLE2" "OLE3" "OLE4" "OLEA1" "OTH1" "OTH3" "OTH4" "OXYL" "PROP" "PROPE" "PXYL" "RCHO" "STYRS" "TOLU"

  • S18B:"ACET" "ACETL" "ACRO" "ACYLS" "ALK3" "ALK4" "ALK5" "BALD" "BENZ" "BUT13" "BZ123" "BZ124" "BZ135" "C2BEN" "ETCHO" "ETHAN" "ETHEN" "HCHO" "MACR" "MECHO" "MEK" "MXYL" "NC4" "OLE1" "OLE2" "OLE3" "OLE4" "OLEA1" "OTH1" "OTH3" "OTH4" "OXYL" "PROP" "PROPE" "PXYL" "RCHO" "STYRS" "TOLU"

References

Carter, W. P. (2015). Development of a database for chemical mechanism assignments for volatile organic emissions. Journal of the Air & Waste Management Association, 65(10), 1171-1184.

See also

speciate

Examples

{
id <-1:2
df <- data.frame(V1 = 1:2, V2 = 1:2)
dx <- speciate(x = df,
               spec = "nmhc",
               fuel = "E25",
               veh = "LDV",
               eu = "Exhaust")
dx$id <- rep(id, length(unique(dx$pol)))
names(dx)
vocE25EX <- emis_chem2(df = dx,
                       mech = "CB05",
                       nx = c("V1", "V2"))
}