The YT10to10 dataset for 12C1H4: Specific heat - heat capacitys

Metadata

Spectroscopic Model

12C-1H4__YT10to10.model

YT10to10: partition function

Calculated line list and energy levels for (12C)(1H)4

References

  1. Yurchenko, S. N., Tennyson, J., "ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K", Monthly Notices of the Royal Astronomical Society 440, 1649-1661 (2014). [link to article][14YuTexx.CH4]

YT10to10: program

Calculated line list and energy levels for (12C)(1H)4

  • ch4.f90 [502.4 KB]
    Fortran 90 program to compute the Cartesian dipole moment components and potential energy values of CH4
  • ch4_par_10to10.inp [37.8 KB]
    Input file for ch4.f90 containing the refined potential and ab initio dipole moment parameters of CH4
  • README-10to10.txt [8.8 KB]
    Documentation for the YT10to10 CH4 calculated line list and energy levels

References

  1. Yurchenko, S. N., Tennyson, J., Barber, R. J., Thiel, W., "Vibrational transition moments of CH4 from first principles", Journal of Molecular Spectroscopy 291, 69-76 (2013). [link to article][13YuTeBa.CH4]

YT10to10: program

Calculated line list and energy levels for (12C)(1H)4

References

  1. Yurchenko, S. N., Tennyson, J., Barber, R. J., Thiel, W., "Vibrational transition moments of CH4 from first principles", Journal of Molecular Spectroscopy 291, 69-76 (2013). [link to article][13YuTeBa.CH4]

YT10to10: line list

Calculated line list and energy levels for (12C)(1H)4

References

  1. Yurchenko, S. N., Tennyson, J., Barber, R. J., Thiel, W., "Vibrational transition moments of CH4 from first principles", Journal of Molecular Spectroscopy 291, 69-76 (2013). [link to article][13YuTeBa.CH4]
  2. Yurchenko, S. N., Tennyson, J., "ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K", Monthly Notices of the Royal Astronomical Society 440, 1649-1661 (2014). [link to article][14YuTexx.CH4]

YT10to10: broadening coefficients

Calculated line list and energy levels for (12C)(1H)4

References

  1. Varanasi, P., Chudamani, S., "The temperature dependence of lineshifts, linewidths and line intensities of methane at low temperatures", Journal of Quantitative Spectroscopy and Radiative Transfer 43, 1-11 (1990). [link to article][90VaChxx.CH4]
  2. Pine, A. S., "Self‐, N2, O2, H2, Ar, and He broadening in the ν3 band Q branch of CH4", Journal of Chemical Physics 97, 773-785 (1992). [link to article][92Pine.CH4]
  3. Fox, K., Jennings, D. E., Stern, E. A., Hunnard, R., "Measurements of argon-, helium-, hydrogen-, and nitrogen-broadened widths of methane lines near 9000 cm−1", Journal of Quantitative Spectroscopy and Radiative Transfer 39, 473-476 (1998). [link to article][98FoJeSt.CH4]
  4. Varanasi, P., Tejwani, G. D. T., "Experimental and theoretical studies on collision-broadened lines in the v4-fundamental of methane", Journal of Quantitative Spectroscopy and Radiative Transfer 12, 849-855 (1972). [link to article][72VaTexx.CH4]
  5. Varanasi, P., Chudamani, S., "Measurements of collision-broadened line widths in the v4-fundamental band of 12CH4 at low temperatures", Journal of Quantitative Spectroscopy and Radiative Transfer 41, 335-343 (1989). [link to article][89VaChxx.CH4]
  6. Grigoriev, I. M., Filippov, N. N., Tonkov, M. V., Gabard, T., Le Doucen, R., "Estimation of line parameters under line mixing effects: the ν3 band of CH4 in helium", Journal of Quantitative Spectroscopy and Radiative Transfer 69, 189-204 (2001). [link to article][01GrFiTo.CH4]
  7. Gabard, T., Grigoriev, I. M., Grigorovich, N. M., Tonkov, M. V., "Helium and argon line broadening in the ν2 band of CH4", Journal of Molecular Spectroscopy 225, 123-131 (2004). [link to article][04GaGrGr.CH4]
  8. Manne, J., Bui, T. Q., Webster, C. R., "Determination of foreign broadening coefficients for methane lines targeted by the Tunable Laser Spectrometer (TLS) on the Mars Curiosity Rover", Journal ofQuantitativeSpectroscopy and RadiativeTransfer 191, 59-66 (2017). [link to article][17MaBuWe.CO2]
  9. Vispoel, B., Fissiaux, L., Lepère, M., "CO2-broadening coefficients in the ν3 fundamental band of methane", Journal of Molecular Spectroscopy 360, 1-6 (2019). [link to article][19ViFiLe.CH4]
  10. Lyulin, O. M., Petrova, T. M., Solodov, A. M., Solodov, A. A., Perevalov, V. I., "Measurements of the broadening and shift parameters of methane spectral lines in the 5550–6140cm-1 region induced by pressure of carbon dioxide", Journal of Quantitative Spectroscopy and Radiative Transfer 147, 164-170 (2014). [link to article][14LyPeSo.CH4]
  11. Fissiaux, L., Delière, Q., Blanquet, G., Robert, S., Vandaele, A. C., Lepère, M., "CO2-broadening coefficients in the ν4 fundamental band of methane at room temperature and application to CO2-rich planetary atmospheres", Journal of Molecular Spectroscopy 297, 35-40 (2014). [link to article][14FiDeBl.CH4]
  12. Guest, E.R., Tennyson, J., Yurchenko, S.N., "Modelling the Rotational Dependence of Line Broadening using Machine Learning", Journal of Molecular Spectroscopy (2024).

YT10to10: Specific heat - heat capacity

Calculated line list and energy levels for (12C)(1H)4

  • 12C-1H4__YT10to10.cp [170.9 KB]
    Heat capacity (specific heat) Cp of (12C)(1H)4 in 1 K intervals to 2000 K

References

  1. Yurchenko, S. N., Tennyson, J., "ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K", Monthly Notices of the Royal Astronomical Society 440, 1649-1661 (2014). [link to article][14YuTexx.CH4]

YT10to10: cooling function

Calculated line list and energy levels for (12C)(1H)4

References

  1. Yurchenko, S. N., Tennyson, J., "ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K", Monthly Notices of the Royal Astronomical Society 440, 1649-1661 (2014). [link to article][14YuTexx.CH4]
  2. Tennyson J., Hulme K., Naim O. K., Yurchenko S. N., "Radiative lifetimes and cooling functions for astrophysically important molecules", Journal of Physics B 49, 1-8 (2016). [link to article][16TeHuNa]