THE GEISA 2008 EDITION : PRESENTATION AND EVALUATION FOR PLANETARY ATMOSPHERE STUDIES N. Jacquinet-Husson (1), V. Capelle (1), L. Crépeau (1), N.A. Scott (1), R. Armante (1), A. Chédin (1), A. Coustenis (2) (1). Laboratoire de Météorologie Dynamique (LMD) Ecole Polytechnique, Palaiseau, France (2). Laboratoire d’Etudes Spatiales et d’Instrumentation en Astrophysique, Observatoire de Meudon, Meudon, France http://ara.lmd.polytechnique.fr GEISA: Gestion et Etude des Informations Spectroscopiques Atmosphériques ; Management and Study of Atmospheric Spectroscopic Information THE GEISA SYSTEM: Three SUB-DATABASES and ASSOCIATED MANAGEMENT SOFTWARES (For each sub-database) GENERAL CONTEXT The ARA (Atmospheric Radiation Analysis) group at LMD has been engaged, during the past three decades, in the development of GEISA, a computer-accessible spectroscopic database, designed to facilitate accurate and fast forward calculations of atmospheric radiative transfer using a line-by-line and (atmospheric) layer-by-layer approach. The performance of the second generation vertical sounding, high-resolution, sophisticated infrared spectroscopic instruments, such as AIRS (http://www.airs.jpl.nasa.gov/) in the USA and IASI (http://earth-ciences.cnes.fr/IASI/) in Europe, will highly depend on the accuracy in the spectroscopic parameters of the optically active atmospheric gases, since suchdata constitute an essential input in the forward models that are used to interpret the recorded spectral radiances. LINE TRANSITION PARAMETERS SUB-DATABASE INFRARED cross-sections sub-database Major Permanent constituents of EARTH’s atmosphere : O2,H2O,CO2 … Molecules in atmospheres of JUPITER, SATURN, URANUS,TITAN etc.: C2H6, CH3D, C2H2, C2H4, GeH4, HCN, C3H8, C3H4 … Trace molecules in the EARTH’s atmosphere : The GEISA spectroscopic database in the ARA/LMD tools AEROSOL SUB-DATABASE •Spectroscopy •Forward model GEISA CROSS-SECTION SUB-DATABASE NO, SO2,NO2,NH3, HNO3, OH,HF, HCl, HBr, HI, ClO, OCS, H2CO, PH3 … Minor permanent constituents of the EARTH’s atmosphere : O3,CH4,N2O,CO … C2F6 Perfluoroethane C3H8 Propane C2H6 ethane C2H2 acetylene C2H4 ethene SF5CF3 trifluoromethyl sulfur pentafluoride CHF2CH2F (HFC-143), SF5CF3, C4F8, HNO4, HCH-365mfc •Inverse model Spectroscopic database •Educated database dedicated to one particular application (TOVS, AIRS, IASI, Radiative budget …) 3I Improved Initialization Inversion STRANSAC Line-by-line Forward Model Data on microphysical and optical properties of basic aerosol components. 4 sub-databases included: Neural Network Learning (Inverse mode) Faster 30/400 times TIGR 2300 selected Atmospheric Profiles (T,H2O,O3 …) Precomputed BT, Trans., JACOBIANS Radiative flux 4A Automatized Atmospheric Absorption Atlas ECMWF Radiative code 3R Rapid Radiance Recognition Neural Network Learning (forward mode) Faster 3000/40000 times ICSA-2007 Marseille 5-6 Juin 2007 EVOLUTION GEISA SINCE 1978 REFRACTIVE INDICES OF BASIC AEROSOL COMPONENTS: Water ice Acids Water droplets Water soluble components Thin films Solid Substances ATMOSPHERIC AEROSOLS FROM LITMS (Rublev, 1994) SOFTWARE PACKAGE AND DATABASE OPAC (Hess et al., 1998) (Optical Properties of Aerosols and Clouds) GLOBAL AEROSOL DATA SET: GADS (Köpke et al., 1997) Mol. Spectral Range/ Band Id. ------------------------------------------------GEISA-03 GEISA-08 update =================================================== H2O 0.007- 25232.004 cm-1 500- 8000 cm-1 CO2 436.123- 9648.007 cm-1 4000-9000 cm-1 O3 0.026- 4060.783 cm-1 1613- 4845 cm-1 6000- 7000 cm-1 N2O 0.838- 5131.249 cm-1 525- 10175 cm-1 CO CH4 3.414- 8464.882 cm-1 0.010- 9199.285 cm-1 cm-1 O2 NO SO2 NO2 NH3 PH3 0.000- 15927.806 0.000- 9273.214 cm-1 0.017- 4092.948 cm-1 0.498- 3074.366 cm-1 0.058- 5294.502 cm-1 17.805- 2478.765 cm-1 HNO3 0.035- 1769.982 cm-1 750- 1350 cm-1 2850- 3150 cm-1 4800- 9200 cm-1 0.7 μm region 1011- 1410 cm-1 2780- 2940 cm-1 770-3601 cm-1 0.005- 35877.031 cm-1 41.111- 11535.570 cm-1 20.240- 13457.841 cm-1 16.232- 9758.565 cm-1 12.509- 8487.305 cm-1 0.015- 1207.639 cm-1 0.381- 4118.004 cm-1 0.000- 2998.527 cm-1 C2H6 725.603- 2977.926 cm-1 CH3D 7.760- 3306.810 cm-1 C2H2 604.774- 3374.223 cm-1 GEISA DISTRIBUTION Spectral Range/ Band Id. -------------------------------------------------GEISA-03 GEISA-08 update ================================================== C2H4 701.203- 3242.172 cm-1 1380- 1509 cm-1 GeH4 HCN C3H8 C2N2 1937.371- 2224.570 cm-1 2.870- 18407.973 cm-1 700.015- 799.930 cm-1 203.955- 2181.690 cm-1 C4H2 190.588- 654.425 cm-1 Sub-millimeter 1.573 µm 12 µm region 3250-3700 cm-1 199.1 - 244.0 cm-1 605.5 - 651.4 cm-1 GEISA-03 UV/VIS cross-sections sub-database Spectral range 230 – 1333 nm 16 µm (Ʋ5) 20µm (Ʋ6) HOCl 0.024- 3799.249 cm-1 3- 309 cm-1 -1 N2 1992.628- 2625.497 cm 4.3 μm -1 CH3Cl 674.143- 3161.830 cm 650- 2650 cm-1 H2O2 0.043- 1499.487 cm-1 0.043- 1730 cm-1 H2S 2.985- 4098.234 cm-1 HCOOH 1060.962- 1161.251 cm-1 10- 100 cm-1 940- 1244 cm-1 -1 COF2 725.006- 2001.348 cm SF6 940.425- 952.238 cm-1 Ʋ3, Ʋ4, Ʋ4+Ʋ6-Ʋ6 C3H4 290.274- 359.995 cm-1 290- 360 cm-1 592- 673 cm-1 HO2 0.173- 3675.819 cm-1 -1 ClONO2 763.641- 790.805 cm 500- 1330 cm-1 ===================================================== New Molecular Species (non exhaustive list) ===================================================== CH3Br 16 µm CH3OH 0.02 - 33 cm-1 10 µm region NO+ HNC C6H6 C2HD 1635- 2530 cm-1 0.22- 12594 cm-1 642 –705 cm-1 451 - 580 cm-1 600 - 760 cm-1 2.5 µm and 3.8 µm 1.5 µm region 0.83 µm region 11 molecular species ; 180 T,P sets ARCHIVED SPECTROSCOPIC LINE PARAMETERS 30 Parameters 255 Character records Reference Temperature 296 K Parameter ID Meaning, Units Courtesy of J. Orphal No update REMAINING SPECTROSCOPY RELATED PROBLEMS 14 µm (Ʋ2; 2Ʋ2-Ʋ2) 203.872 - 266.320 cm-1 474.293- 690.860 cm-1 HC3N Ʋ5-Ʋ9 2Ʋ9-Ʋ9 Ʋ5 ; 2Ʋ9 (Ʋ8+Ʋ9) ; (Ʋ6+Ʋ7) OH HF HCl HBr HI ClO OCS H2CO Mol. 2200-7000 cm-1 CFC-11, CFC-12, CFC-13, CFC-14, HCFC-22, HFC-32, CFC-113, CFC-114, CFC-115, HCFC-123, HCFC-124, HFC-125, HFC-134, HFC-134a, HCFC-141b, HCFC-142b, HFC-143a, HFC-152a, HCFC-225ca, HCFC-225cb, N2O5, SF6, ClONO2, CCl4 A B C D E F G I J (cm-1) Wavenumber of the line Intensity of the line in (cm-1/(molecule.cm-2) Air broadening pressure halfwidth (HWHM)(*) (cm-1atm-1) Energy of the lower transition level (cm-1) Transition quantum identifications for the lower and upper state of the transition Temperature dependence coefficient n of the air broadening HWHM Identification code for isotope as in GEISA Identification code for molecule as in GEISA Internal GEISA code for the data identification 53 co-authors- 24 Institutions (For inter-compatibility with HITRAN-04 format) FROM CONCLUSIONS OF VALIDATION WITH THE 4A-00/LMD MODEL FOR IASI RADIATIVE TRANSFER MODELLING The water vapour spectroscopic parameters: still need to be validated The water vapour continuum: more tuning to be done when more validation data (especially with high water vapor content) become available The freons bands at 850 and 920 cm-1: refine the temperature dependence O3 in the 9.6 μm region: the spectroscopic parameters still need to be validated Some CO2 – Q,P and R branches: further improvement/tuning of the line mixing NEEDS IN SPACE STUDIES OF OUTER PLANETS AND TITAN (Courtesy of Athena Coustenis and Bruno Bézard) Hydrocarbons: CH4 in the near-infrared region (from 0.8 to 5 μm) both from theory and laboratory measurements C6H2: (at 642 cm-1) this band is being studied by Jolly and Bénilan C2H6: need of the spectroscopic parameters for the 1400-1500 cm-1 band (observed on Jupiter & Titan) GEISA implemented on the Ether (CNRS/CNES) Products and Services Centre (CPS) http://ether.ipsl.jussieu.fr Also: for molecules heavier than C2H6 (like C6H2, HC5N, there’s still few data) C3H8: needs in all bands except at 748 cm-1 , in particular the one at 1150 cm-1 C3H4 (allene) C6H6 benzene C4H2 : for the band at 628 cm-1 it would require a global analysis (like the one for HC3N and C4N2) to identify all the hot bands (some work is being done by Bénilan and Jolly, based on a re-analysis of data by Arié) K Molecule number L Isotope number (1=most abundant. 2= second…etc) M Einstein A-coefficient (s-1) N Self broadening pressure HWHM (cm-1atm-1) (for water) O Air pressure shift of the line transition (cm-1atm-1) P Accuracy indices for frequency, intensity and halfwidth Q Indices for lookup of references for frequency, intensity and halfwidth ACKNOWLEDGMENTS to R A’ B’ C’ F’ Temperature dependence coefficient n of the air pressure shift Estimated accuracy (cm-1) on the line position Estimated accuracy on the intensity of the line in (cm-1/(molecule.cm-2) Estimated accuracy on the air collision HWHM (cm-1atm-1) Estimated accuracy on the temperature dependence coefficient n of the air broadening HWHM O’ Estimated accuracy on the air pressure shift of the line transition (cm-1atm-1) R’ Estimated accuracy on the temperature dependence coefficient n of the air pressure shift N’ S S’ T T’ U U’ (Especially dedicated to Water Molecule) Estimated accuracy on the self broadened HWHM (cm-1atm-1) Temperature dependence coefficient n of the self broadening HWHM Estimated accuracy on the temperature dependence coefficient n of the self- broadening HWHM Self pressure shift of the line transition (cm-1atm-1) Estimated accuracy on the self pressure shift of the line transition (cm-1atm-1) Temperature dependence coefficient n of the self pressure shift Estimated accuracy on the temperature dependence coefficient n of the self pressure shift ===================================== (*) HWHM: line half-width at half-maximum CNES, CNRS/INSU and EUMETSAT for their Encouragements and Supports