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Interactive In-the-browser (and more) examples to calculate spectra with RADIS (HITRAN Online access, etc.)

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RADIS Examples

This project includes:

  • Interactive examples to calculate infrared spectra of molecules with RADIS, a convenient way to have access to HITRAN online without any installation.
  • Static examples of fitting algorithm built around RADIS

A full online environment for advanced spectrum processing and comparison with experimental data

radis-lab-wip-02-01-21

Start on radis.github.io/radis-lab/

https://notebooks.gesis.org/binder/v2/gh/radis/radis-lab/main?urlpath=lab/tree/welcome.ipynb

Interactive Examples

Run RADIS interactively directly from the browser. No installation needed!

Manipulate a Spectrum object:

https://mybinder.org/v2/gh/radis/radis-examples/master?filepath=spectrum.ipynb

Calculate CO equilibrium and nonequilibrium spectra:

https://mybinder.org/v2/gh/radis/radis-examples/master?filepath=first_example.ipynb

3. online_fitting.ipynb (JupyterLab)

Import experimental spectra in an online JupyterLab instance and start fitting them!

https://mybinder.org/v2/gh/radis/radis-examples/master?urlpath=lab/tree/online_fitting/online_fitting.ipynb

Start a bare RADIS online session:

https://mybinder.org/v2/gh/radis/radis-examples/master?filepath=radis_online.ipynb

Static Examples

Install RADIS then run these examples locally.

1. Multi Temperature Fit

A 3 temperature fitting example reproducing the validation case of Klarenaar 2017 [1], who calculated a transmittance spectrum from the initial data of Dang 1973 [2], with a 1 rotational temperature + 3 vibrational temperature (Treanor distributions) model

docs/multi-temperature-fit.gif

CO2 Energies are calculated from Dunham developments in an uncoupled harmonic oscillator - rigid rotor model. The example is based on one of RADIS validation cases. It makes use of the RADIS Spectrum class and the associated compare and load functions

[1]Klarenaar et al 2017, "Time evolution of vibrational temperatures in a CO2 glow discharge measured with infrared absorption spectroscopy" doi/10.1088/1361-6595/aa902e
[2]Dang et al 1982, "Detailed vibrational population distributions in a CO2 laser discharge as measured with a tunable diode laser" doi/10.1007/BF00694640

Code is available in the fit_klarenaar_validation_case.py file

2. Radiative forcing of CO2

An example where we use RADIS to calculate the upward-radiation of the Earth for different CO2 mole fractions in the atmosphere, based on the simple Standard Atmosphere Model. The difference evidences the radiative forcing of CO2.

ex_radiative_forcing_co2/out/atmosphere_co2_column.png

Code is available in the radiative_forcing_co2.py file

3. HITRAN spectra

The absorption coefficient of all HITRAN species is calculated in plot_all_hitran_spectra.py at 300 K, 1 atm for the first isotope.

For instance:

  • Water (H2O) absorption coefficient at 300 K :

Water H2O infrared absorption coefficient

  • Carbon dioxide (CO2) absorption coefficient at 300 K :

Carbon Dioxide CO2 infrared absorption coefficient

  • Methane (CH4) absorption coefficient at 300 K :

Methane CH4 infrared absorption coefficient

All other species can be found on the RADIS website

Links