Mutual and Self-Diffusivities in Binary Mixtures of [EMIM][B(CN)(4)] with Dissolved Gases by Using Dynamic Light Scattering and Molecular Dynamics Simulations

Beitrag in einer Fachzeitschrift


Details zur Publikation

Autor(en): Koller TM, Heller A, Rausch MH, Wasserscheid P, Economou IG, Fröba AP
Zeitschrift: Journal of Physical Chemistry B
Verlag: American Chemical Society
Jahr der Veröffentlichung: 2015
Band: 119
Seitenbereich: 8583-8592
ISSN: 1520-6106
eISSN: 1520-5207


Abstract


Ionic liquids (ILs) are possible working fluids for the separation of carbon dioxide (CO2) from flue gases. For evaluating their performance in such processes, reliable mutual-diffusivity data are required for mixtures of ILs with relevant flue gas components. In the present study, dynamic light scattering (DLS) and molecular dynamics (MD) simulations were used for the investigation of the molecular diffusion in binary mixtures of the IL 1-ethyl-3-methylimidazolium tetracyanoborate ([EMIM][B(CN)(4)]) with the dissolved gases carbon dioxide, nitrogen, carbon monoxide, hydrogen, methane, oxygen, and hydrogen sulfide at temperatures from 298.15 to 363.15 K and pressures up to 63 bar. At conditions approaching infinite dilution of a gas, the Fick mutual diffusivity of the mixture measured by DLS and the self-diffusivity of the corresponding gas calculated by MD simulations match, which could be generally found within combined uncertainties. The obtained diffusivities are in agreement with literature data for the same or comparable systems as well as with the general trend of increasing diffusivities for decreasing IL viscosities. The DLS and MD results reveal distinctly larger molecular diffusivities for [EMIM][B(CN)(4)]-hydrogen mixtures compared to mixtures with all other gases. This behavior results in the failure of an empirical correlation with the molar volumes of the gases at their normal boiling points. The DLS experiments also showed that there is no noticeable influence of the dissolved gas and temperature on the thermal diffusivity of the studied systems.



FAU-Autoren / FAU-Herausgeber

Fröba, Andreas Paul Prof. Dr.-Ing.
Professur für Advanced Optical Technologies - Thermophysical Properties
Heller, Andreas
Professur für Advanced Optical Technologies - Thermophysical Properties
Koller, Thomas Manfred Dr.-Ing.
Professur für Advanced Optical Technologies - Thermophysical Properties
Rausch, Michael Heinrich Dr.-Ing.
Lehrstuhl für Technische Thermodynamik
Wasserscheid, Peter Prof. Dr.
Lehrstuhl für Chemische Reaktionstechnik


Zusätzliche Organisationseinheit(en)
Erlangen Graduate School in Advanced Optical Technologies


Zitierweisen

APA:
Koller, T.M., Heller, A., Rausch, M.H., Wasserscheid, P., Economou, I.G., & Fröba, A.P. (2015). Mutual and Self-Diffusivities in Binary Mixtures of [EMIM][B(CN)(4)] with Dissolved Gases by Using Dynamic Light Scattering and Molecular Dynamics Simulations. Journal of Physical Chemistry B, 119, 8583-8592. https://dx.doi.org/10.1021/acs.jpcb.5b02659

MLA:
Koller, Thomas Manfred, et al. "Mutual and Self-Diffusivities in Binary Mixtures of [EMIM][B(CN)(4)] with Dissolved Gases by Using Dynamic Light Scattering and Molecular Dynamics Simulations." Journal of Physical Chemistry B 119 (2015): 8583-8592.

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Zuletzt aktualisiert 2018-11-08 um 02:59