Water monomer linelists Matt Barber Jonathan Tennyson Department of Physics and Astronomy University College London December 2009.

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Presentation transcript:

Water monomer linelists Matt Barber Jonathan Tennyson Department of Physics and Astronomy University College London December 2009

Monomer line list Extended to cover cm -1 Now uses HITRAN 2008 The HITRAN 2008 molecular spectroscopic database Rothman, LS; Gordon, IE; Barbe, A, et al. JQSRT 110, (2009) with correction to 8000 – 9000 cm -1 region Includes calculated line profile data IUPAC group: Recommends not using Voigt profiles – introduce speed-dependent widths

Monomer linelists: general strategy Augment Hitran with 1. Other experimental data 2. Our calculated data (BT2 linelist) Aim: to model CRDS experiments at 100 C

UCL and HITRAN spectra compared at 296K

UCL and HITRAN spectra compared at 368K

Monomer linelists: general strategy Augment Hitran with 1. Other experimental data 2. Our calculated data (BT2 linelist) Aim: to model CRDS experiments at 100 C Extensions to this strategy: 1. Calculated pressure broadening parameters (Voronin et al) added where none present. 2. Special analysis of 7000 – cm -1 region.

Comparison of calculated vs HITRAN intensites: near IR Expect theory to ~2% too strong. Conclusion: HITRAN intensities cm -1 are too weak

Monomer linelists: general strategy Augment Hitran with 1. Other experimental data 2. Our calculated data (BT2 linelist) Aim: to model CRDS experiments at 100 C Extensions to this strategy: 1. Calculated pressure broadening parameters (Voronin et al) added where none present. 2. Special analysis of 7000 – cm -1 region. Calculated intensities used in place of HITRAN cm -1.

Conclusion Our linelists appear to make a significant difference (improvement) Work on this now complete (?)