Rayleigh-Brillouin light scattering spectra of CO2 from molecular dynamics

Seyed Hossein Jamali; Mariette de Groen; Othon Moultos; Remco Hartkamp; Thijs Vlugt; Wim Ubachs; Willem van de Water

doi:10.1063/1.5110676

Rayleigh-Brillouin light scattering spectra of CO₂ from molecular dynamics

Seyed Hossein Jamali, Mariette de Groen, Othon Moultos, Remco Hartkamp, Thijs Vlugt, Wim Ubachs, Willem van de Water

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Abstract

Rayleigh-Brillouin light scattering spectra of CO2 at ultraviolet wavelengths are computed from molecular dynamics which depends on intermolecular potentials only. We find excellent agreement with state of the art experimental data. This agreement was reached in a minimal computational box with sides one scattering wavelength long and integrating the classical trajectories over 20 ns. We also find complete consistency with models based on kinetic theory, which take known values of the transport coefficients as input.

Original language	English
Article number	064201
Number of pages	7
Journal	Journal of Chemical Physics
Volume	151
Issue number	6
DOIs	https://doi.org/10.1063/1.5110676
Publication status	Published - 2019

Bibliographical note

Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care

Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.

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title = "Rayleigh-Brillouin light scattering spectra of CO2 from molecular dynamics",

abstract = "Rayleigh-Brillouin light scattering spectra of CO2 at ultraviolet wavelengths are computed from molecular dynamics which depends on intermolecular potentials only. We find excellent agreement with state of the art experimental data. This agreement was reached in a minimal computational box with sides one scattering wavelength long and integrating the classical trajectories over 20 ns. We also find complete consistency with models based on kinetic theory, which take known values of the transport coefficients as input.",

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language = "English",

volume = "151",

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AU - Jamali, Seyed Hossein

AU - de Groen, Mariette

AU - Moultos, Othon

AU - Hartkamp, Remco

AU - Vlugt, Thijs

AU - Ubachs, Wim

AU - van de Water, Willem

N1 - Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.

PY - 2019

Y1 - 2019

N2 - Rayleigh-Brillouin light scattering spectra of CO2 at ultraviolet wavelengths are computed from molecular dynamics which depends on intermolecular potentials only. We find excellent agreement with state of the art experimental data. This agreement was reached in a minimal computational box with sides one scattering wavelength long and integrating the classical trajectories over 20 ns. We also find complete consistency with models based on kinetic theory, which take known values of the transport coefficients as input.

AB - Rayleigh-Brillouin light scattering spectra of CO2 at ultraviolet wavelengths are computed from molecular dynamics which depends on intermolecular potentials only. We find excellent agreement with state of the art experimental data. This agreement was reached in a minimal computational box with sides one scattering wavelength long and integrating the classical trajectories over 20 ns. We also find complete consistency with models based on kinetic theory, which take known values of the transport coefficients as input.

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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ER -

Rayleigh-Brillouin light scattering spectra of CO₂ from molecular dynamics

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