RFM Absorbers

22SEP17

The following is a list of all the molecules (Names in Red) recognised by the RFM v4.3 and subsequent versions (although see User's Manual for list for earlier RFM versions up to v4.29)
Two new molecules were added in HITRAN2016: C2N2 (#48) and COCl2 (#49). These will be used in RFM v5 onwards (and #53 removed).

Molecules 1-49 follow the assigments for HITRAN 2016
ID Molecule ID Molecule ID Molecule ID Molecule ID Molecule
1 H2O 2 CO2 3 O3 4 N2O 5 CO
6 CH4 7 O2 8 NO 9 SO2 10 NO2
11 NH3 12 HNO3 13 OH 14 HF 15 HCl
16 HBr 17 HI 18 ClO 19 OCS 20 H2CO
21 HOCl 22 N2 23 HCN 24 CH3Cl 25 H2O2
26 C2H2 27 C2H6 28 PH3 29 COF2 30 SF6q
31 H2S 32 HCOOH 33 HO2 34 O 35 ClONO2q
36 NO+ 37 HOBr 38 C2H4 39 CH3OHq 40 CH3Br
41 CH3CNq 42 CF4q 43 C4H2 44 HC3N 45 H2
46 CS 47 SO3 48 C2N2 [RFM v5] 49 COCl2 [RFM v5] 50 BrO
51 GeH4 52 C3H8q 53 C2N2 [RFM v4.3] 54 C3H4 55 HNC
56 C6H6q
Key Standard HITRAN line molecules
HITRAN line data normally represented as cross-sections
Additional GEISA and other (BrO) line molecules (RFM-specific IDs) - RFM v4.31 onwards
Molecules 100+ are RFM-specific indices for species represented by infrared absorption cross-section data.
ID Molecule ID Molecule ID Molecule ID Molecule ID Molecule
100 Aerosol
General Heavy Molecules
101 ClONO2 102 N2O5 103 SF6 104 CCl4 105 HNO4
106 SF5CF3 107 BrONO2 108 ClOOCl 109 X109 110 X110
CFCs (ChloroFluoroCarbons)
111 F11 (CCl3F) 112 F12 (CCl2F2) 113 F113 (C2Cl3F3) 114 F114 (C2Cl2F4) 115 F115 (C2ClF5)
116 F116 (C2F6) 117 F13 (CClF3) 118 F14 (CF4)
HCFCs (HydroChloroFluoroCarbons)
121 F21 (CHCl2F) 122 F22 (CHClF2) 123 F123 (CHCl2CF3) 124 F124 (CHClFCF3) 125 F141b (CH3CCl2F)
126 F142b (CH3CClF2) 127 F225ca (CHCl2CF2CF3) 128 F225cb (CClF2CF2CHClF)
HFCs (HydroFluoroCarbons)
131 F125 (CHF2CF3) 132 F32 (CH2F2) 133 F134 (CHF2CHF2) 134 F134a (CFH2CF3) 135 F143 (CF3CH3)
136 F143a (CF3CH3) 137 F152a (CH3CHF2) 138 F365mfc
MHCs (Methylated Hydrocarbons)
141 CH3OH (Methanol) 142 CH3CN (AcetoNitrile) 143 CH3CHO (Acetaldehyde) 144 Acetone (CH3COCH3) 145 PAN (CH3C(O)OONO2)
NMHCs (Non-Methylated Hydrocarbons)
151 C2H6x (Ethane) 152 C3H8 (Propane) 153 C6H6 (Benzene) 154 C2H2x (Acetylene) 155 C2H4x (Ethylene)
Halocarbons
161 C4F8 (Octafluorocyclobutane)
UV Cross-sections of simple molecules
171 O3x 172 N2Ox 173 SO2x 174 NO2x 175 H2COx
176 BrO 177 NO3 178 OClO
UV Cross-sections of heavy molecules
181 C7H8 (Toluene) 182 oxylene (o-C8H10) 183 mxylene (m-C8H10) 184 pxylene (p-C8H10)
Key Extinction cross-section [km-1]
Molecular cross-section [cm2/molec]
Dummy names for user-supplied cross-section molecules
Cross-section normally represented as HITRAN line data
Additional GEISA Cross-section molecules - RFM v4.31 onwards
UV Cross-sections - RFM v4.31 onwards

Notes

  1. When specifying absorbers in the *GAS section of the Driver Table, the RFM accepts either the ID, the chemical formula (case-insensitive) or, in the case of CFCs/HFCs, the F code, as highlighted in red in the above tables. The maximum length of the field is limited to 7 characters, so for certain molecules only the F code can be used (eg F123), or common names such as PAN and Acetone.
  2. The intention is to maintain the HITRAN indices as a subset of the RFM, so as the HITRAN dataset expands (see HITRAN web-site) any RFM-specific assigments just above the HITRAN limit may change (HITRAN2012 defines molecules up to 47).
  3. Some molecules are represented by both HITRAN line parameters and as cross-section data. But note that, even if the spectral ranges do not overlap, you cannot combine the two in the same RFM run - for this you have to split the RFM into separate runs for each spectral range.
  4. The absorbers X109, X110 are for user-defined cross sections. To use these, eg defining X109 as phosgene, If you want to 'hard-wire' in your own names (max length C*7 and lower-case, so either 'phosgen' or its formula 'ccl2o') instead of X109, etc., change the (two) associations for 'x109' in subroutine molidx.for from, eg, 'x109' to 'phosgen' and/or 'ccl2o'
  5. Adding new line molecules is a rather more complicated process since the hitbin.f program needs to be able to read the line data source to convert it to the RFM binary format, and various RFM internal subroutines need to know about isotopologues, molecular weights (for Doppler broadening) and TIPS functions. Probably best if you email me to discuss it.

The following is a list of all the molecules recognised by the RFM up to v4.29.
ID Molecule ID Molecule ID Molecule ID Molecule ID Molecule
1 H2O 2 CO2 3 O3 4 N2O 5 CO
6 CH4 7 O2 8 NO 9 SO2 10 NO2
11 NH3 12 HNO3 13 OH 14 HF 15 HCl
16 HBr 17 HI 18 ClO 19 OCS 20 H2CO
21 HOCl 22 N2 23 HCN 24 CH3Cl 25 H2O2
26 C2H2 27 C2H6 28 PH3 29 COF2 30 SF6q
31 H2S 32 HCOOH 33 HO2 34 O 35 ClONO2q
36 NO+ 37 HOBr 38 C2H4 39 HDO 40 BrO
41 C3H8 42 C2N2 43 C4H2 44 HC3N 45 C3H4
46 GeH4 47 [unassigned] 48 [unassigned] 49 [unassigned] 50 Aerosol
51 F11 (CFCl3) 52 F12 (CF2CL2) 53 F13 (CClF3) 54 F14 (CF4) 55 F21 (CHCl2F)
56 F22 (CHClF2) 57 F113 (C2Cl3F3) 58 F114 (C2Cl2F4) 59 F115 (C2ClF5) 60 CCl4
61 ClONO2 62 N2O5 63 HNO4 64 SF6 65 X65
66 X66 67 X67 68 X68 69 X69 70 F123 (CHCl2CF3)
71 F124 (CHClFCF3) 72 F141b (CH3CCl2F) 73 F142b (CH3CClF2) 74 F225ca (CHCl2CF2CF3) 75 F225cb (CClF2CF2CHClF)
76 F32 (CH2F2) 77 F125 (CHF2CF3) 78 F134 (CHF2CHF2) 79 F134a (CFH2CF3) 80 F143a (CF3CH3)
81 F152a (CH3CHF2) Key Standard HITRAN line molecules
HITRAN line Molecules also represented as cross-sections
RFM-specific line molecules
Extinction cross-section [km-1] (RFM-specific IDs)
Molecular cross-section [cm2/molec] (RFM-specific IDs)
Dummy names for extra cross-section molecules (RFM-specific IDs)