HITRAN2016 DATABASE PART II: OVERVIEW OF THE SPECTROSCOPIC PARAMETERS OF THE TRACE GASES Good Morning everyone. It’s my honor to be here and I would like.

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Presentation transcript:

HITRAN2016 DATABASE PART II: OVERVIEW OF THE SPECTROSCOPIC PARAMETERS OF THE TRACE GASES Good Morning everyone. It’s my honor to be here and I would like to thank the committee give me the chance to present our work. Yan Tan (a), I.E. Gordon (a), L.S. Rothman (a), R.V Kochanov (a,b), C. Hill (a,c), HITRAN contributers worldwide (a) Atomic and Molecular Physics Division , Harvard-Smithsonian Center for Astrophysics, USA; (b)Laboratory of Quantum Mechanics of Molecules and Radiative Processes, Tomsk State University, Russia; (c) Department of Physics and Astronomy, University College London, Gower Street, London WC1E6BT, United Kingdom

HITRAN2016 line-by-line section: HITRAN2016 molecules (49) Species (isotopologues) in line-by-line portion of HITRAN H2O (6) NO (3) HCl (4) N2 (2) COF2 (2) NO+ (1) C4H2 (1) CO2 (10) SO2 (2) HBr (4) HCN (3) SF6 (1) HOBr (2) HC3N (1) O3 (5) NO2 (1) HI (2) CH3Cl (2) H2S (3) C2H4 (2) H2 (2) N2O (5) NH3 (2) ClO (2) H2O2 (1) HCOOH (1) CH3OH (1) CS (4) CO (6) HNO3 (2) OCS (5) C2H2 (3) HO2 (1) CH3Br (2) SO3 (1) CH4 (4) OH (3) H2CO (3) C2H6 (2) O (1) CH3CN (1) C2N2 (1) O2 (3) HF (2) HOCl (2) PH3 (1) ClONO2 (2) CF4 (1) COCl2(3)

HITRAN2016 trace gases update : Outline: New line lists for NH3, HNO3, OCS, HCN, CH3Cl, C2H2, C2H6, PH3, C2H4, CH3CN, CF4, C4H2, SO3, C2N2 and COCl2 Traditional Voigt line shape parameters : gair, gself, nair Common expression nair = 0.79nN2 + 0.21nO2 Non-Voigt line shape parameters (SDV, HT profile) The semi-empirical line shape parameters from forgein broadeners (like CO2, H2, He)

Ammonia –NH3( molecule 11) : Validate the new line list for NH3 2012 2012 By comparing with the PNNL corss-section data, we found that the current MARVEL/BYTe combination is still incomplete to provide the input to HITRAN for 4000 - 7000 cm-1. A.R. Al Derzi et al. , JQSRT 161 (2015) 117–130

Ammonia –NH3( molecule 11) : New to HITRAN New lines above 7400 cm-1 So the present update includes 20526 lines in the region 7400–10350 cm-1 which came from analysis of the Kitt Peak spectrum. Overview of the transitions of NH3 in HITRAN2016 with new bands highlighted. A.R. Al Derzi et al. ,JQSRT, 161 (2015) 117–130; Barton EJ et al., JMS, 2016;325:7–12.

nitric acid -HNO3 (molecule 12): Perrin A., J Phys Chem A 2013;117:13236–48; Perrin A. et al., Atmos Meas Tech 2016;9:2067–76.

Hydrogen cyanide-HCN (molecule 23): New lines above 3500 cm-1 Overview of the transitions of HCN in HITRAN2016 with new bands highlighted. The group from UCL provide line list above 3500 cm-1 for HCN

Phosgene-COCl2 (molecule 49): Overview of the transitions of COCl2 in HITRAN2016 ν5 band based on Kwabia Tchana et al, Mol Phys 113 (2015) 3241–3246

Semi-empirical model to update gair and gself: N2O, SO2, NH3, CH3Cl, HO2, and H2S (as an example) The air- and self-broadening coefficients of H2S plotted as a function of the lower-state rotational quantum number (J”+0.2Ka”)

Air-broadening temperature dependence exponent nair: Eq1: Incorrect Eq2: Right way!

Summary of the HT parameters non-Voigt line shape parameters: Experiment VP HTP Strong Dicke narrowing Strong Speed dependence Lines are well isolated Summary of the HT parameters

non-Voigt line shape parameters: Get the HT parameters from HITRANonline: (http://hitran.org/)

Foreign broadeners (CO2, H2, He) for CO, NH3, HF, HCl, OCS, SO2 , C2H2 ( as an example): HAPI code example: modeling of C2H2 v5-band absorption in a He+H2 atmosphere Wilzewski et al, JQSRT 168 (2016) 193–206

Acknowledgments: Many spectroscopists and atmospheric scientists worldwide have contributed data to the database or provided invaluable validations. I want to thanks for our former group members and also the whole HITRAN group now. HITRANonline: http://hitran.org/ The HITRAN database is supported by the NASA AURA and PDART program grants NNX14AI55G and NNX16AG51G.

Thanks for your attention! At the end, thanks for your attention!