Calculate a spectrum from HITEMP

Auto-download and compute a CO spectrum from HITEMP ([HITEMP-2010]).

Compare with HITRAN-2016 ([HITRAN-2016]).

plot hitemp spectrum

Out:

Downloading 05_HITEMP2019.par.bz2 for CO (1/1).
Download complete. Parsing CO database to /home/docs/.radisdb/hitemp/CO-05_HITEMP2019.h5

(4s)    13.3%     Parsed 100,000 / 752,976 lines. Wavenumber range 2.25-1848.27 cm-1 is complete.
(7s)    26.6%     Parsed 200,000 / 752,976 lines. Wavenumber range 2.25-3851.22 cm-1 is complete.
(10s)   39.8%     Parsed 300,000 / 752,976 lines. Wavenumber range 2.25-5936.13 cm-1 is complete.
(13s)   53.1%     Parsed 400,000 / 752,976 lines. Wavenumber range 2.25-8112.71 cm-1 is complete.
(16s)   66.4%     Parsed 500,000 / 752,976 lines. Wavenumber range 2.25-10404.72 cm-1 is complete.
(19s)   79.7%     Parsed 600,000 / 752,976 lines. Wavenumber range 2.25-12907.72 cm-1 is complete.
(22s)   93.0%     Parsed 700,000 / 752,976 lines. Wavenumber range 2.25-16256.03 cm-1 is complete.
(24s)   100.0%    Parsed 752,976 / 752,976 lines. Wavenumber range 2.25-22148.27 cm-1 is complete.
(24s)   100.0%    Parsed 752,976 / 752,976 lines. Wavenumber range 2.25-22148.27 cm-1 is complete.
(24s)   100.0%
Added HITEMP-CO database in /home/docs/radis.json
Calculating Equilibrium Spectrum
Physical Conditions
----------------------------------------
   Tgas                 2000 K
   Trot                 2000 K
   Tvib                 2000 K
   isotope              1
   mole_fraction        0.1
   molecule             CO
   overpopulation       None
   path_length          1 cm
   pressure_mbar        3000.0 mbar
   rot_distribution     boltzmann
   self_absorption      True
   state                X
   vib_distribution     boltzmann
   wavenum_max          2170.0000 cm-1
   wavenum_min          2135.0000 cm-1
Computation Parameters
----------------------------------------
   Tref                 296 K
   add_at_used          None
   broadening_method    voigt
   cutoff               1e-27 cm-1/(#.cm-2)
   dbformat             hitemp-radisdb
   dbpath               /home/docs/.radisdb/hitemp/CO-05_HITEMP2019.h5
   dlm_log_pG           0.1375350788016573
   dlm_log_pL           0.20180288881201608
   export_rovib_fraction  True
   folding_thresh       1e-06
   hdf5_engine          pytables
   include_neighbouring_lines  True
   levelsfmt            None
   neighbour_lines      0 cm-1
   optimization         min-RMS
   parfuncfmt           hapi
   parfuncpath          None
   parsum_mode          full summation
   pseudo_continuum_threshold  0
   truncation           50 cm-1
   wavenum_max_calc     2170.0000 cm-1
   wavenum_min_calc     2135.0000 cm-1
   waveunit             cm-1
   wstep                0.01 cm-1
   zero_padding         -1
Information
----------------------------------------
   chunksize            None
   db_use_cached        True
   export_lines         False
   export_populations   None
   load_energies        False
   lvl_use_cached       True
   total_lines          310
   warning_broadening_threshold  0.01
   warning_linestrength_cutoff  0.01
----------------------------------------
0.02s - Spectrum calculated
Added HITRAN-CO2-TEST database in /home/docs/radis.json
Added HITRAN-CO-TEST database in /home/docs/radis.json
Added HITEMP-CO2-TEST database in /home/docs/radis.json
Added HITEMP-CO2-HAMIL-TEST database in /home/docs/radis.json
Using database: HITRAN-CO-TEST
'HITRAN-CO-TEST':
{'info': 'HITRAN 2016 database, CO, 3 main isotopes (CO-26, 36, 28), 2000-2300 cm-1', 'path': ['/home/docs/checkouts/readthedocs.org/user_builds/radis/envs/latest/lib/python3.8/site-packages/radis/test/files/hitran_co_3iso_2000_2300cm.par'], 'format': 'hitran', 'parfuncfmt': 'hapi', 'levelsfmt': 'radis'}



Generating cache file /home/docs/checkouts/readthedocs.org/user_builds/radis/envs/latest/lib/python3.8/site-packages/radis/test/files/hitran_co_3iso_2000_2300cm.h5 with metadata :
{'last_modification': 'Sun Sep 26 18:43:09 2021', 'wavenum_min': 2000.052539, 'wavenum_max': 2298.445736}
/home/docs/checkouts/readthedocs.org/user_builds/radis/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: HighTemperatureWarning:

HITRAN is valid for low temperatures (typically < 700 K). For higher temperatures you may need HITEMP or CDSD. See the 'databank=' parameter

Calculating Equilibrium Spectrum
Physical Conditions
----------------------------------------
   Tgas                 2000 K
   Trot                 2000 K
   Tvib                 2000 K
   isotope              1
   mole_fraction        0.1
   molecule             CO
   overpopulation       None
   path_length          1 cm
   pressure_mbar        3000.0 mbar
   rot_distribution     boltzmann
   self_absorption      True
   state                X
   vib_distribution     boltzmann
   wavenum_max          2170.0000 cm-1
   wavenum_min          2135.0000 cm-1
Computation Parameters
----------------------------------------
   Tref                 296 K
   add_at_used          None
   broadening_method    voigt
   cutoff               1e-27 cm-1/(#.cm-2)
   dbformat             hitran
   dbpath               /home/docs/checkouts/readthedocs.org/user_builds/radis/envs/latest/lib/python3.8/site-packages/radis...
   dlm_log_pG           0.1375350788016573
   dlm_log_pL           0.20180288881201608
   export_rovib_fraction  True
   folding_thresh       1e-06
   hdf5_engine          pytables
   include_neighbouring_lines  True
   levelsfmt            radis
   neighbour_lines      0 cm-1
   optimization         min-RMS
   parfuncfmt           hapi
   parfuncpath          None
   parsum_mode          full summation
   pseudo_continuum_threshold  0
   truncation           50 cm-1
   wavenum_max_calc     2170.0000 cm-1
   wavenum_min_calc     2135.0000 cm-1
   waveunit             cm-1
   wstep                0.01 cm-1
   zero_padding         -1
Information
----------------------------------------
   chunksize            None
   db_use_cached        True
   export_lines         False
   export_populations   None
   load_energies        False
   lvl_use_cached       True
   total_lines          31
   warning_broadening_threshold  0.01
   warning_linestrength_cutoff  0.01
----------------------------------------
0.02s - Spectrum calculated

(<Figure size 640x480 with 2 Axes>, [<AxesSubplot:>, <AxesSubplot:xlabel='Wavenumber (cm⁻¹)'>])

from radis import calc_spectrum

s = calc_spectrum(
    2135,
    2170,  # cm-1
    molecule="CO",
    isotope="1",
    pressure=3,  # bar
    Tgas=2000,  # K
    mole_fraction=0.1,
    path_length=1,  # cm
    databank="hitemp",  # latest version is fetched
    name="HITEMP-2020",
)

from radis.test.utils import setup_test_line_databases

setup_test_line_databases()

s2 = calc_spectrum(
    2135,
    2170,  # cm-1
    molecule="CO",
    isotope="1",
    pressure=3,  # bar
    Tgas=2000,  # K
    mole_fraction=0.1,
    path_length=1,  # cm
    databank="HITRAN-CO-TEST",  # we could also have fetched the latest HITRAN with "databank='hitran'"
    name="HITRAN-2016",
)

# Compare:
from radis import plot_diff

plot_diff(s, s2)

Total running time of the script: ( 0 minutes 25.239 seconds)

Gallery generated by Sphinx-Gallery