Rayleigh-Brillouin light scattering spectra of CO2 from molecular dynamics

Journal article (2019)

Authors

S.H. Jamali Engineering Thermodynamics - Mechanical, Maritime and Materials Engineering
M. de Groen Engineering Thermodynamics - Mechanical, Maritime and Materials Engineering
O. Moultos Engineering Thermodynamics - Mechanical, Maritime and Materials Engineering
Remco Hartkamp Complex Fluid Processing - Mechanical, Maritime and Materials Engineering
T.J.H. Vlugt Engineering Thermodynamics - Mechanical, Maritime and Materials Engineering
Wim Ubachs Vrije Universiteit Amsterdam
W. van de Water Fluid Mechanics - Mechanical, Maritime and Materials Engineering
Research Group
Engineering Thermodynamics (Mechanical, Maritime and Materials Engineering) (TU Delft)
Copyright: © 2019 S.H. Jamali, M. de Groen, O. Moultos, Remco Hartkamp, T.J.H. Vlugt, Wim Ubachs, W. van de Water
DOI: https://doi.org/10.1063/1.5110676
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Published Date

2019

Language

English

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Faculty

Mechanical, Maritime and Materials Engineering

Department

Process and Energy

Research Group

Engineering Thermodynamics

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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