HITRAN 2012refractiveindices
THIS PAPER INTRODUCED HITRAN.S T Massie, M. Hervig /Journal of Quantitative Spectroscopy S Radiative Transfer 130 (2013)373-380375that are based upon field experiments. Of particular are part of HITRAN 2012. Additions to the previous listingsinterest to hitRAN 2012 are the indices of aerosols that include organic acids 39, secondary organic aerosol (proxy)contain absorptive characteristics, e.g. desert dust, miner-[41, carbonaceous flame indices 36, 37 mineralogicaals, burning vegetation, volcanic ash, carbonaceous flame, indices[42, 43, volcanic ash indices [47 and biomass fireand brown carbon absorptive aerosol is characterized by a35 and brown carbon [38 indices derived from fieldsignificant imaginary refractive index, and the influence ofmeasurements. These materials are associated with tropoabsorptive aerosol upon the Earth's atmosphere is the spheric aerosols. We note that the measurements spansubject of current research [20]. Since aerosols evolve,limited ranges of wavelength between 0.25 and 50 um.e.g. becoming more likely to accept a coating of water over The HITRAN-Ri program issues an error message when thetime, the optical properties also evolve. The papers asso- requested calculation wavelength range falls outside of theciated with the tabulations of measured in -situ effectiverange of the specified refractive index data file, states theaerosol refractive indices contain textual information thatdata file's wavelength range, and requests the user todescribes the details of the measurementsredefine the calculation's range of wavelengthTable 1 lists the refractive indices included in hitranIn regard to HItRan 2012, refractive indices of aliphatic2012. Indices of water, supercooled water, ice, binary liquid dicarboxylic acids(oxalic, malonic, succinic, and glutaricH2S04/H2O, H2S04/HNO3), ternary liquid(H2so4 /H2O/HNO3),acid)and other acids(pyruvic, pinonic, benzoic, andnitric acid dihydrate(NAD), nitric acid trihydrate (NAT),phthalic) 39 at various weight percent compositions arerepresentative burning vegetation, and mineral compositions tabulated for the real and imaginary indices from 0.25 to(eg sea salt, quartz, hematite), tabulated in HITRAN 2008 12]. 1.25 Hm and 0.25 to 1.1 um, respectively. DicarboxylicRefractive indices included in hitran 2012CompoundMeasurement specificsReference27°C,10-5000cmWater0.67-2.5m266K,0.04um-223]Water ice. sodium chloride. sea salt. water soluble aerosolRoom temp, 0.2-40 umammonium sulfate. carbonaceous aerosol volcanic dustsulfuric acid, meteoric dust, quartz, hematite, sandSulfuric acid(H2SO4/H2O)Room temp, 25-96% H2SO424ASulfuric acid(H2S04/H2O)Room temp, 75 and 90% H2SO 425|ASulfuric acid(H2S04/H2O)215K,499-6996cm-126Sulfuric acid(H2SO4/H2O)200-300K,825-4700cm-1Sulfuric acid(H2SO4/H2O)213-293K,432-5028cn28ANitric acid(H2SO4 HNO3)Nitric acid(H2SO4 HNO3)220K,754-4700cm-1Room temp, 250-2987 cr29Nitric acid(H2SO4/ HNO3)213-293K,cmAmorphous nitric acid153K,482-7000cmNAM(nitric acid monohydrate482-6002cm-1NAD (nitric acid dihydrate)184K,482-6981cm160-190K,700-4700cm-1oNAT (nitric acid trihydrate181K,482-6989cm-1βNAT196K,482-6364cm-131NAT160K,711-4004cm33Burning vegetation525-5000cm-134]」Burning vegetation0.35-1.5pmCarbon flame0.4-0.7um,25-600CFlame soot0.2-38mBrown carbon0.2-1.2um38]*Organic acids0.25-11pmOxalic, malonic, succinic, pinonic, pyruvic, phthalicOrganic haze0.525nmSOA(proxy0.525nmMinerals2-200mClay, illite, kaolin, montmorilloniteMinerals5-40um43]Granite. montmorilloniteSaharan dust0.30-0.95m44Saharan dust0.35-0.6545Saharan dust0.35-0.65um146Volcanic ash0.45-25um47]Datasets in the 'archive subdirectory are marked by an'ANew hitran 2012 indices are marked byRefractive indices included in HItran376S T Massie, M. Hervig Journal of Quantitative Spectroscopy S Radiative Transfer 130(2013) 373-380acids account for 1-15% of the total carbon aerosol. andRobotic Network (aeronet) data 45, and the Pattersonoccur in both the coarse and fine mode. Current research iset al. indices 46focused upon understanding the role of organic chemistryAs illustrated by Fig. 1 of Ref. [17, and reviewed inin tropospheric aerosol processes. Since the imaginary Ref. 50, carbonaceous aerosol displays a wide variety ofrefractive index of these acids is small, they haveabsorptive characteristics. Inclusion of these and otherscattering effect by themselves. Oxalic acid is the most papers in the hitRan-Ri suite thereby informs the userabundant organic acid, and has the smallest molecularof the variations of real world absorbing aerosols. Theweight. It is thought that aqueous phase chemistry in fog optical properties of brown carbon spheres in east Asianand cloud droplets plays an important role in the formaoutflow over the Yellow Sea during the asian Pacifiction chemistry of the organic acids and their productsRegional Aerosol Characterization (ACE-Asia) field proThe organic acids are also associated with isoprene chemgram 38 are included in HitRAN 2012. Brown aerosolsistry that is associated with pine tree and other planthave imaginary indices somewhat smaller than blackemissioncarbon particles. The imaginary index of the brown aerosolAqueous phase reactions of a-dicarbonyls (glyoxal andis greater than 0.2 between 0.2 and 1.2 um, with largermethylglyoxal) and amines (glycine and methylaminevalues at the shorter wavelengths indicating that scatter-produce droplets which, when dried produce particlesing and absorption by brown carbon needs to be includedhat have a brownish color [ 41]. The refractive indices ofin global modelsthese particles have an imaginary index similar to HUmic-The 2010 eruptions of Eyjafjallajokull in Iceland haltedLike Substances(HULIS) measured in the field, and serveaviation flights in Europe for 6 days, and dramaticallyas a good model for secondary organic aerosol (SOA). Theemphasized the effects of volcanic eruptions upon com-importance of these measurements is that models fremerce and the environment measurements of ash indicesquently assume that soA has little visible light absorptionbetween 1 and 20 um from samples gathered after theSince organic aerosol contributes 50% to the global aerosol 1993 Mt Aso eruption [47] are included in HItRAn 2012mass in the troposphere, and 90% in urban regions 48these absorption effects are potentially very important.3. HITRAN-RI applicationsIt is well known that desert dust is also absorptiveDesert dust and soil emissions are comprised of a varietyHITRAN-RI is written in the Interactive Data Languageof minerals, and the composition varies on a regional basis(idl) and fortran 90 programming languages, with source[49. Indices from 2.5 to 50 um of clay, illite, kaolin, and code in separate subdirectories. The Aerosols_ Readme. pdfmontmorillonite[42, granite and montmorillonite from file of the HITRAN-RI suite provides instructions on how to5 to 40 um 43, and imaginary indices from 305 to 905 nmuse the program. This file explains which program filesof African dust samples[44, add to the previous hitran need to be edited by the user, and also discusses themineral indices(quartz, hematite, and sand )[16]. The purposes and contents of the subdirectories. The IDLabsorptive characteristics of desert dusts are dependentversion conveniently exports the calculations to Postscriptupon the hematite (iron) content of the dust. Hematite(PS) graphics files. Output ASCll files are written by thevolume abundances from 11 to 2.7% of african dustFortran 90 program-the user then graphs the ascll datasamples yield a factor of two range in the imaginaryusing other softwareindices. Fig. 1 presents the imaginary indices of the Africandust samples [44], those derived from analysis of Total 3. 1. Refractive indicesOzone Mapping Spectrometer(toms) satellite and aerosolHITRAN-RI can be used to compare two different sets ofAfrican Dustrefractive indices. Fig. 2 displays the Tisdale [26] indices of0.050refraction of H2SO4/H2O at 75% H2SO4 and the GraingerWAgner 2.7%[47 volcanic ash indices. Volcanic sulfate droplet extincWagner Cairotion spectra are based upon H2SO4/H20 indices, while0.040wagner 1.6%Wanger SANUM B2larger ash particles contribute to the wavelength depenWagner 1.1dence soon after the volcanic eruption Differences in theSinyuk三0.030---- Pattersonimaginary indices in the 8-10 um range produce noticeable differences in the extinction spectra of the twomaterials, since the extinction spectrum in the infrared0.020has a wavelength dependence that matches that of theimaginary index.Since particles in the real world are frequently a0.010mixture of compositions, mixing rules (average, Debye,Maxwell-Garnett, Bruggeman) are applied to estimate the0.000LILLI--⊥aggregate indices of a multi-component particle HITRAN-0.300.400.500.600.700.800.90100RI instructs the user on how to calculate the aggregateWavelength(micrometers)indices using the four mixing rules. Fig. 3 presents theFig. 1. Variations in the imaginary index of African dust [44-46 Theaggregate refractive indices calculated using the fourvolume abundance of hematite is indicated for three of the Wagner[441mixing rules for the case of quartz [16] with 0.05(byindex setsvolume abundance) hematite [16] inclusions. DifferencesS T Massie, M. Hervig /Journal of Quantitative Spectroscopy S Radiative Transfer 130 (2013)373-380377Real indicesReal Indices2.56AverageTisdale h2S04Debye2.0Grainger ash7- Maxwell-Garnett5=二· Bruggeman1.531.00.54678910111200510152530Wavelength(micrometers)Wavelength(micrometers)Imaginary indices1.0Imaginary indices6Tisdale H2S04Average0.8Grainger ash5DebyeMaxwell-Garnett---"Bruggeman40.63042~入ooE20.0 thi+ ii46789101112Wavelength(micrometers)510152530Fig. 2. Comparison of the Tisdale [26 indices of refraction of H2SO4/H20Wavelength(micrometers)at 75% weight percent H2 SO4(i.e. stratospheric sulfate droplets) and theFig 3. Refractive indices calculated using four different mixing rules forGrainger volcanic ash indices [47, calculated using HITRAN-HIquartz [16 and 5%(by volume abundance) hematite[16] inclusionsin the four sets of curves of the real and imaginary indicesare apparent at both the peaks of the index structure andGiven the same user specified size distribution and twoat various wavelengths between the peaksdifferent sets of indices, extinction spectra can be calcu-lated in separate calculations to determine the range inextinction values that are due to differences(uncertain3. 2. Calculation of specific optical propertiesties) in the refractive indices. The pathnames of the outputfiles of these two calculations can then be named in theThe standard application of Hitran-Ri is performed bycompare_spectra. dat"input ASCll file. Activation of aspecification of the size distribution, the index of refraction single flag in the "work. dat"input file then allows thedata set, and print flags in the "work. dat"ASCII input fileuser to compare the two calculations in numeric andHITRAN-RI applies the"bhmie"Mie routine of Ref [71graphic termsExtinction, scattering, absorption, single scattering albedo,HITRAN-RI allows the user to specify input files thatbackscattering, and asymmetry spectra, the particle sizecontain user specified indices of refraction and the sizedistribution, and refractive index data are exported to distribution for model calculation purposes. Specificationoutput files, and postscript graphics files are generated of an observed extinction spectrum and the model calcuby the idl program. The output ASCll and netcdF data files lation file pathnames in the "compare_spectra. dat"filecan be used in external calculations. Since all lines of codethen leads to a comparison of the two spectra. This featureare available to the user, the user can alter the format of is useful in exploratory calculations that seek to reconcilethe output files if desiredmodel and observed aerosol spectra378S T Massie, M. Hervig Journal of Quantitative Spectroscopy S Radiative Transfer 130(2013) 373-3803.3. Instructional/test casesframework, and provide to the user a way to use thehitran refractive indices in a convenient manner thatA number of test cases are instructional in regard toreadily connects the indices to atmospheric parameters(esize distributions and Mie calculations. Input "work. dat'g extinction, single scattering albedo)files and numerical and graphics test results are includedThe first release focuses upon the application of a Miein the examples"and"output"subdirectories of the IDL code, which is limited to spheres. Ice particles and"fractalcode. These test cases serve as a convenient check onsoot aggregrates, however, are very non-spherical. Publicexpected program performancedomain codes that perform non-spherical calculationsThe first test case illustrates representative size dis-using T-matrix and discrete dipole techniques are distributions, e.g. stratospheric sulfate before and after thecussed in Refs. 51-54Mt. Pinatubo volcanic eruption, a rain drop size distribu-Refractive indices and papers to be added after the firsttion, the size distribution of Polar Stratospheric Cloud release of hitRan 2012 include the study of Hoffer et alparticles, a representative desert dust size distribution, [55 of the optical properties of humic-like substancesand fine and coarse mode aerosol size distributions in(HULIS) in biomass-burning aerosols, the work of Kirchst-clean rural and polluted urban settings. There are severalter et al. 56 on the spectral dependence of light absorp-ways to specify the size distribution (e.g. the number oftion by aerosols affected by organic carbon, the discussionparticles per cm' per radii increment in um, or number of of Andrae and Gelencser [57 on black and brown carbon,particles per cm per volume increment in um ). The first the discussion of Bergstrom et al. [58] on the spectraltest case illustrates the various formulaic ways in whichabsorption properties of atmospheric aerosols, and thesize distributions are specified for liquid and solidextensive paper by Bond et al. [59 on the role of blackparticles.carbon in the climate system. Updates to hitRan areThe Mie solution [ 6, 7 specifies how light is absorbed announced periodically on the hitRan homepageand scattered by a sphere, with extinction being equal toRecent calculations 60-64 have produced a largethe sum of scattering and absorption. The geometricadatabase of ice crystal in-situ measurements, and opticacross section rr2 of a particle of radius r is effectively properties of ice crystals of varying surface shapes(icemultiplied by an efficiency factor Qext (i.e. the sum of thehabits) and roughness. This extensive database is locatedMie Qsca and Qabs terms). The second test case calculatesoutside of the hitran harvard-Smithsonian websiteMie scattering Osca versus particle size parameter x(with HITRAN-RI will provide information to users on how tox=2rr//, for particle radius r and wavelength a) curves fordownload this database and will provide code by which aa single particle, i.e. Fig. 5.7 of Ref. [ 1, followed by the user can apply the data in ice crystal extinction spectrumcalculation of corresponding Qext and Qabs curves. SincecalculationsQext is a function of x and the complex refractive indexm=m+im, where m and mi are the real and imaginaryrefractive indices, this test case illustrates the dependenceAcknowledgmentsof Qext upon the imaginary index.The third test case includes illustrative calculations inThe comments by James Hannigan and gene francis arewhich the particle size distribution widens. Details of the appreciated. The National Center for Atmospheric Researchsingle particle Qext versus x curve are smoothed by the(NCAR) is sponsored by the National Science Foundationextinction convolution integral of the extinction Bext(a)spectrumReferencesBext ()=0.001/Qex (X, m)zr2dn/drdr[1] Liou KN. An introduction to atmospheric radiation. San DiegoAcademic press: 2002as the width of the size distribution dn/dr widens. The[2] Thomas GE, Stamnes K. Radiative transfer in the atmosphere and0.001 factor in Eq. (1)is a units conversion factor, sinceocean. Cambridge: Cambridge University Press: 1999[3 Rogers RR, Yau MK. A short course in cloud physics. WoburnBexta)is usually expressed in km units in remoteutterworth heinemann: 1989sensing studies.[4 Brasseur GP, Solomon S. Aeronomy of the middle atmosphereTropospheric particles gain and lose surface coatings asDordrecht: Springer: 2005[5 Seinfeld JH, Pandis SN. Atmospheric chemistry and physics. Newthe particles evolve. The effects of a surface coating areYork: John Wiley and Sons: 1998illustrated in the fourth test case by applying the "bhcoat6 van de hulst HC. Light scattering by small particles. New York: Doverroutine of Ref. [7. For this application, the test case inPublications: 1981[7 Bohren CF, Huffman DR Absorption and scattering of light by smallAppendix b of ref [7 is applied This test case shows theparticles. New York: John Wiley and Sons: 1983user how to calculate and compare graphically the optical[8 Crisp D, Boesch H, Brown L, Castano R, Christi M, Connor B, et alproperties of a particle with and without a user specifiedOCO(Orbiting Carbon Observatory)-2 level 2 full physics retrievalalgorithm theoretical basis, OCO D-65488, Version 1.0 Rev 4coating.Pasadena: Jet Propulsion Laboratory: November 10, 2010[9 Del Castillo C, Platnick S, Antoine D, Balch B, Behrenfeld M, Boss E,etal Pre-Aerosol Clouds and ocean Ecosystem(PACe)mission science4. Discussion and future developmentsdefintionteamreport.(http://decadal.gsfc.nasa.gov/pace_documentation/PACE_ SDT_Report final. pdf): 2012HITRAN-RI Will be updated on a continuing basis as[10 Rothman LS, Gordon IE, Babikov Y, Barbe A, Benner DC, Bernath PF,more refractive index data are placed into the programet al. The HITRAN 2012 Molecular Spectroscopic Database. J QuantSpectroscRadiatTransfer2013.http://dx.doi.org/10.1016/j-jqsrt.The goal of the first release is to establish the HITRAN-RI2013.07.002, In pressS T Massie, M. Hervig /Journal of Quantitative Spectroscopy S Radiative Transfer 130 (2013)373-380379[11 Rothman LS, Jacquemart D, Barbe A, Benner DC, Birk M, Brown LR,[38] Alexander DT, Crozier PA, Anderson JR. Brown carbon spheres inet al. The hitran 2004 molecular spectroscopic database. J QuantEast Asian outflow and their optical properties. Science 2008: 321Spectrosc Radiat Transfer 2005: 96: 139-204833-6.[12] Rothman LS, Gordon IE, Barbe A, Benner DC, Bernath PF, Birk M.[39 Myhre CEL, Nielsen C]. Optical properties in the Uv and visibleet al. The HiTRAN 2008 molecular spectroscopic database. J Quantspectral region of organic acids relevant to tropospheric aerosolsSpectrosc Radiat Transter 2009: 110: 533-72Atmos Chem Phys 2004: 4: 1759-69[13 Massie ST, Goldman A. 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Appl Opt1993;32:3531-40E, et al. Measuring volcanic plume and ash properties from space[23]Warren SG, Brandt RE Optical constants of ice from the ultravioletIn: Pyle D, Mather T, editors. Remote sensing of volcanoes andto the microwave: a revised compilation. J Geophys Res 2008: 113volcanic processes: integrating observation and modeling. LondonSpecial Publication Geological Society: 2013[24 Palmer KF, Williams D Optical constants of sulfuric acid; application48 Zhang Q, Jimenez JL, Canagaratna, Allan JD, Coc H, Ulbrich L, ct alto the clouds of Venus? Appl opt 1975: 14: 208-19Ubiquity and dominance of oxygenated species in organic aerosol ir[25]Remsberg EE, Lavery D, Crawford B. Optical constants for sulfuricanthropogenically-influenced Northern Hemisphere mid-latitudesand nitric acids. J Chem Eng Data 1974: 19: 263-5Geophys Res Lett 2007: 34: L13801[26] Tisdale RT, Glandorf DL, Tolbert MA, Toon OB. 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Refractive indices of pyropytic[60 Cole B, Yang P, Baum BA, Redi J C.-Labonnote L, Thieuleux F, et algraphite, amorphous carbon, and flame soot in the temperatureComparison of PARASOL observations with polarized reflectancerange 25-600C Combust Flame 1993: 94: 381-96simulated using different ice habit mixtures. J Appl Meteorol Clim[37 Chang H, Charalampopoulos TT. Determination of the wavelength2013;52:186-96.dependence of refractive indices of flame soot. Proc R Soc Lond A[61] Yang P, Bi L, Baum BA, Liou KN, Kattawar GW, Mishchenko Ml, et al1990;430:577-91Spectrally consistent scattering, absorption, and polarization380S T Massie, M. Hervig Journal of Quantitative Spectroscopy S Radiative Transfer 130(2013) 373-380properties of atmospheric ice crystals at wavelengths from 0.2 um to[63 Baum BA, Yang P, Hu YX, Feng Q. The impact of ice particle roughness100um. J Atmos Sci2012;70:330-47on the scattering phase matrix. 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