The 2001 Update of the GEISA-97 Spectroscopic Database System General Context High resolution vertical infrared sounding new instruments, like AIRS (Atmospheric Infrared Sounder: http://www-airs.jpl.nasa.gov/) in the USA, and IASI (Infrared Atmospheric Sounding Interferometer: http://www-projet.cst.cnes.fr:8060/IASI/index.html) in Europe, which have a better vertical resolution and accuracy compared to the presently existing ones, will mainly be devoted to operational meteorology associated with Numerical Weather Prediction, with the purpose of providing an improved knowledge of the vertical atmospheric structure and of surface properties. The performances of these second generation vertical sounders will be highly dependent on the accuracy to which the spectroscopic parameters of the optically active atmospheric gases are known, since these are essential input in the forward models used to simulate recorded radiance spectra. Consequently, there is a strong requirement for a comprehensive, validated and operational, interactive spectroscopic database. In this context, since 1974 the ARA (Atmospheric Radiation Analysis) group at LMD (Laboratoire de Météorologie Dynamique, France) has developed the GEISA (Gestion et Etude des Informations Spectroscopiques Atmosphériques: Management and Study of Atmospheric Spectroscopic Information) computer accessible database system (Chédin et al. 1982; Husson et al. 1992,1994), to perform reliable radiative transfer calculations, using « line-by-line and layer-bylayer » approach for fast forward radiative transfer modelling. This effort benefits the communities doing direct and inverse radiative transfer studies. Currently, GEISA is involved in activities related to the assessment of improved atmospheric sounders capabilities, as described in Jacquinet-Husson et al. (1998). GEISA Spectroscopic Database Overview The GEISA database, in its 1997 version (GEISA-97), is extensively described in JacquinetHusson et al. (1999). It has been partially updated in 2001 (GEISA-01). The GEISA-01 system comprises three sub-databases, i.e.: The GEISA-01 sub-database on line transition parameters: GEISA-01 line transition parameters sub-database involves 42 molecules (96 isotopic species) and contains 1,361,667 entries (15,401 supplementary entries since GEISA-97), between 0 and 22,656 cm1 . The included molecules are of interest for the Earth and other Planet atmospheres (such as: C 2H4, GeH4, C3H8, C2N2, C4H2, HC3N, H2S, HCOOH and C3H4, for the Giant Planets). Among the spectroscopic parameters archived in GEISA, the most important for atmospheric radiative transfer modelling are: the wavenumber (cm-1) of the line associated with a vibro-rotational transition, the intensity of the line (cm molecule-1 at 296K), the Lorentzian collision halfwidth (cm-1 atm-1 at 296 K), the energy of the lower level of the transition (cm-1), the transition quantum identifications for the lower and upper levels of the transition, the temperature dependence coefficient of the halfwidth, the database management identification codes for isotopes and for molecules. These parameters are stored following the GEISA usual standard as described in Jacquinet-Husson et al. (1999). A summary of GEISA-01 line transition parameters sub-database content is given in Table 1. The molecular species formula are listed in column 1 and the molecules and isotopes identification codes for the database management in column 2 and 3, respectively; the numbers of transitions for each 16/02/16 07:38 D:\533562676.doc molecule are in column four. Table 1: Summarized Content of the GEISA-01 Line Transition Parameters Sub-database MOLECULE CODE ISOTOPE NUMBER OF TRANSITIONS H2O 1 161-162-171-181-182 52188 CO2 2 626-627-628-636-637-638-728-828-838 76364 O3 3 666-668-686-667-676 281607 N2O 4 446-447-448-456-546 26653 CO 5 26- 36- 28- 27- 38- 37 13515 CH4 6 211-311 66883 O2 7 66- 67- 68 6292 NO 8 46- 48- 56 94738 SO2 9 626-646 38853 NO2 10 646 100680 NH3 11 411-511 11152 PH3 12 131 4635 HNO3 13 146 171504 OH 14 61- 62- 81 41786 HF 15 19 107 HCl 16 15-17 533 HBR 17 11-19 576 HI 18 17 237 ClO 19 56-76 7230 OCS 20 622-624-632-623-822-634-722 24922 H2CO 21 126-128-136 2702 C2H6 22 226-236 14981 CH3D 23 212 11524 C2H2 24 221-231 1668 C2H4 25 211-311 12978 GeH4 26 411 824 HCN 27 124-125-134 2575 C3H8 28 221 9019 C2N2 29 224 2577 C4H2 30 211 1405 HC3N 31 124 2027 HOCl 32 165-167 15565 N2 33 44 117 CH3Cl 34 215-217 9355 H2O2 35 166 100781 H2S 36 121-141-131 20788 HCOOH 37 261 3388 COF2 38 269 54866 SF6 9 29 11520 C3H4 40 341 3390 HO2 41 166 26963 ClONO2 42 564-764 32199 ____________________________________________________________________________________________________ TOTAL 1,361,667 16/02/16 07:38 D:\533562676.doc Three molecules (underlined in Table 1) have been updated in GEISA-01, i.e.: H2O: 10,755 transitions by Toth (1998, 1999a, 1999b, 1999c, 1999d, 2000a, 2000b), and Toth et al. (1998), have replaced the corresponding existing ones, in the spectral range 500 – 2900 cm-1 ; CO2: 48,000 new transitions by Tashkun et al. (2000), Teffo et al. (2000) and Teffo (2001), have replaced the corresponding existing ones, in the spectral range 430 - 2820 cm-1 ; N2O: a technical update has removed 118 duplicated lines in the spectral interval 564 cm-1 - 629 cm-1. The GEISA-01 sub-database on absorption cross-sections: Besides the line transition parameters data catalog itself, GEISA includes, in the spectral range 556.380-1763.642 cm-1, a second catalog, referred to as GEISA_CROSS, providing, at various temperatures and pressures, the cross-sections of species exhibiting dense spectra , not suitable for a discrete parameterized format. This represents 4,716,743 entries related to 23 molecules, i.e.: CFC11, CFC12, CFC13, CFC14, CFC113, CFC114, CFC115, HCFC22, HCFC123, HCFC124, HFC125, HFC134a, HCFC141b, HCFC142b, HFC152a, HCFC225ca, HCFC225cb, HFC32, HFC143a, HFC134, N2O5, SF6, ClONO2. The absorption cross-sections are determined through the following expression: ( ) ln[ I 0 ( ) / I ( )] nl where is the wavenumber (cm-1); () is the absorption cross-section (cm2 molecule-1); I0( ) and I( ) are the intensities, at the frequency , of the incident and transmitted radiation, respectively; n is the concentration of the molecules (molecule cm-3) and l the optical path length (cm). It is the () value, derived from high-resolution experimental data, that is cataloged in the GEISA cross-sections file. Examples of the direct image of GEISA_CROSS line records are given in Table 2. For each of the listed entries is provided the FORTRAN format of: the wavenumber, (cm-1), in column one; the absorption cross-section value, () (cm2 molecule-1), in column 2; the internal identification code, M, of the actual molecule, in column 3 and the code C related to the atmospheric conditions (T and P), in column 4. There is a total of 108 atmospheric condition codes. Examples of some of these codes are listed in Table 3, where the atmospheric condition codes C are in column one, and the temperature T (in K) and pressure P (in Pa) in columns 2 and 3 respectively. A management program, supplied with GEISA_CROSS, has been designed to use and manage this sub-database. No update occurred since the GEISA-97 Edition. The GEISA-01 sub-database on micro-physical and optical properties of atmospheric aerosols. This new GEISA-01 edition sub-database on micro-physical and optical properties of atmospheric aerosols is described in the next section (GEISA/IASI database). Users friendly management softwares (Chédin et al. 1986; Husson et al. 1994) are associated with each of these three GEISA-01 sub-databases catalog. The current edition of the GEISA system, with associated softwares, are accessible freely via the ARA/LMD group workstations Web site, upon prior request for password at: http://ara.lmd.polytechnique.fr/registration. Give registerme as user’s name. No password is required at this stage of the access. 16/02/16 07:38 D:\533562676.doc Table 2: GEISA_CROSS Line Records Format 1186.00232 1.062E-20 12 62 1186.00232 1.616E-21 12 56 1186.00232 1.768E-20 12 60 1186.00232 2.302E-20 12 61 1186.00232 4.130E-21 12 63 M C FORMAT(F10.6, E10.3, I3, I3) corresponding to: F10.6 Frequency in cm-1 F10.5 for frequencies 1000 cm-1 E10.3 Absorption cross-section in cm2 mol-1 M I3 Molecule identification code C Atmospheric condition code I3 Table 3: Example of GEISA_CROSS Atmos pheric Condition Codes C T P 1 296.0 101325.00 2 283.8 94658.88 3 283.8 81326.64 4 283.9 69460.95 5 272.5 101325.00 6 272.5 87992.76 7 272.5 73327.30 8 272.5 61328.29 C - code of atmospheric conditions T - temperature in K P - pressure in Pa GEISA/IASI-01 Sub-database on Micro-physical and Optical Properties of Atmospheric Aerosols Besides the molecular species which define the gaseous infrared opacity in the Earth’s atmosphere aerosol particles however also contribute to this opacity. Consequently, a common GEISA and GEISA/IASI aerosol sub-database, referred to as GEISA_AEROS, has been recently elaborated. It gathers the micro-physical and optical properties from four published aerosol data catalogs, i.e.: Massie (1994), Rublev (1994), Hess (1998), Köpke (1997), the overall content of which deals with the archive of complex refractive indices and possibly computed optical related properties, for selected basic aerosol components. Softwares for data management and user-selected aerosol mixtures elaboration are available from Rublev (1994), Hess et al. (1998), Köpke et al. (1997). GEISA_AEROS consists in the following: 1. A database on refractive indices of 10 varieties of basic aerosol components (Massie, 1994, 2000) This database recently updated (Massie, 2000) since its origin (Massie, 1994) comprises an extensive archive of complex refractive indices, determined both in situ and in the laboratory, from spectral transmission and reflection measurements (over 40 references), of various aerosol components, i.e.: organic-based non-volatile aerosols from 525 to 5000 cm-1, water ice from 800 to 4004 cm-1, aqueous HNO3/H2O from 754 to 4700 cm-1, nitric acid trihydrate (NAT) from 711 to 4004 cm-1, nitric acid dihydrate (NAD) from 700 to 4700 cm-1, liquid H2SO4/H2O from 825 to 4700 cm-1, liquid H2SO4/H2O from 499 to 6996 cm-1, liquid HNO3/H2O from 250 to 4987 cm-1. 2. A database microphysical and optical properties of atmospheric aerosols (Rublev 1994) The first part of the archive consists in complex indices of refraction of seven basic aerosol components, from Zolatarev (1984), i.e.: dust-like, water-soluble, soot, and oceanic salt particles, sulfuric acid solution droplets, volcanic ash, and water, which have been used in Rublev (1994) for the computation of aerosol integrated optical properties (extinction coefficient, single scattering albedo, asymmetry factor) for: - Four basic aerosol components: dust-like, water-soluble, soot, and oceanic salt particles; - Six principal aerosol models: continental, urban, maritime, stratospheric, volcanic, upper atmosphere, and cloudy, as defined in WMO (1986). In the second part, the so-called AERCOMP (FORTRAN code) software package (Rublev, 1994), allowing the determination of optical properties for user-defined aerosol mixtures, has been archived with its associated basic aerosol constituent optical properties (including scattering phase functions, as 16/02/16 07:38 D:\533562676.doc well) files. 3. The database and associated software package OPAC (Optical Properties of Aerosols and Clouds) by Hess et al. 1998. The first part of this archive is a data set of microphysical properties and the resulting optical properties of: - Ten basic aerosol components: insoluble, soot, water soluble, two sea salt modes - various kinds of salt contained in seawater-, three mineral modes - mixture of quartz and clay minerals-, mineral transported, sulfate droplets. The refractive indices of the aerosol components used in the computations are essentially from d’Almeida et al. (1991) which partly refer to Shettle and Fenn (1979), in few cases corrected with respect to different sources, Köpke et al. (1997). - Six water clouds: stratus (continental and maritime), cumulus (continental -clean and polluted- and maritime), fog, and three kinds of cirrus ice clouds, both in the solar and terrestrial spectral range. The second part is a FORTRAN program making it possible to extract data from the above archive and allowing calculation of any user-defined mixtures of these components. A set of computed typical mixtures is archived, as well. 4. The Global Aerosol Data Set GADS (Köpke et al. 1997). Global fields of all optical parameters necessary for an estimate of the radiative forcing by aerosol particles and to quantify the resulting climate effects are not available from measurements due to the multiple influence parameters. Therefore, using the OPAC aerosol archive, GADS provides the related global aerosol distribution as climatologically averaged values both for the winter (December through February) and summer (June through August) seasons on a global grid with a resolution of 5° by 5° longitude and latitude, independently for the components selected in OPAC. The data are presented as global maps of the aerosol in the first layer above the surface (the first atmospheric layer above the ground that is assumed to be well mixed). The global maps of the 10 selected aerosol components have been obtained through estimates and analysis of a large number of different measurements and model simulations. More details on the archived files structure is given in Köpke et al. (1997). A GADS database associated FORTRAN program has been designed to manage the archived data and to make it possible to calculate the global distributions of user- selected aerosol optical or microphysical properties. The common GEISA and GEISA/IASI-01 sub-database on micro-physical and optical properties of atmospheric aerosols is available at: http://ara.lmd.polytechnique.fr/aero, after GEISA access registration. The GEISA/IASI spectroscopic database system described above, including data files and management softwares, is available at: ftp://ara01.lmd.polytechnique.fr/pub/geisa/iasi2001 References D’ Almeida, G.A., Köpke, P. and Shettle, E.P. 1991. Atmospheric aerosols : global climatology and radiative characteristics. A. Deepak Publishing, Hampton, Va. Brown, L.R. 2000. Private communication. Brown, L.R. 2001. Private communication. Chédin, A., Husson, N. and Scott, N.A. 1982. Une banque de données pour l’étude des phénomènes de transfert radiatif dans les atmosphères planétaires: la banque « GEISA ». Bulletin d’Information du Centre de Données Stellaires (France), 22, 121-121. Chédin, A., Husson, N., Scott, N.A., Cohen-Hallaleh, I. and Berroir, A. 1986. The GEISA data bank 1984 version. 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