Viscosity and Interfacial Tension of Binary Mixtures of n-Hexadecane with Dissolved Gases Using Surface Light Scattering and Equilibrium Molecular Dynamics Simulations

Klein T, Lenahan F, Kerscher M, Jander JH, Rausch MH, Koller TM, Fröba AP (2021)

Publication Language: English

Publication Type: Journal article, Original article

Publication year: 2021

Journal

Journal of Chemical and Engineering Data American Chemical Society

Book Volume: 66

Pages Range: 3205-3218

Journal Issue: 8

DOI: 10.1021/acs.jced.1c00289

Abstract

In the present study, the influence of dissolved gases on the viscosity and interfacial tension of n-hexadecane is investigated using surface light scattering (SLS) experiments and equilibrium molecular dynamics (EMD) simulations. In detail, binary mixtures of n-hexadecane with the solutes hydrogen, helium, methane, water, nitrogen, carbon monoxide, and carbon dioxide are studied in the temperature range between (298 and 573) K and for two solute mole fractions up to 0.2. With SLS, the liquid viscosity and interfacial tension of the binary mixtures were accessed with average expanded uncertainties (coverage factor k = 2) of 2.3 and 1.9%, respectively. By comparing the thermophysical properties of the binary mixtures with the ones of pure n-hexadecane, the influence of the dissolved gases is discussed. For the two lightest gases hydrogen and helium as well as for the solute water, only a small influence of the dissolved gas could be found. For the other gases, a decrease of up to 30% is found for both the viscosity and interfacial tension. While the results for the interfacial tension of the binary mixtures from EMD simulations agree well with the results from SLS measurements, the simulations fail to predict the influence of the dissolved gas on the viscosity accurately. Finally, the enrichment of the solute molecules at the vapor-liquid interface analyzed using EMD simulations is linked to the interfacial tension results.

Authors with CRIS profile

Tobias Klein Institute of Advanced Optical Technologies - Thermophysical Properties (AOT-TP) Frances Lenahan Institute of Advanced Optical Technologies - Thermophysical Properties (AOT-TP) Manuel Kerscher Institute of Advanced Optical Technologies - Thermophysical Properties (AOT-TP) Julius Jander Institute of Advanced Optical Technologies - Thermophysical Properties (AOT-TP) Michael Rausch Institute of Advanced Optical Technologies - Thermophysical Properties (AOT-TP) Thomas Manfred Koller Institute of Advanced Optical Technologies - Thermophysical Properties (AOT-TP) Andreas Paul Fröba Institute of Advanced Optical Technologies - Thermophysical Properties (AOT-TP)

Additional Organisation(s)

Erlangen Graduate School in Advanced Optical Technologies

Related research project(s)

Thermophysical Properties of Long-Chained Hydrocarbons, Alcohols, and their Mixtures with Dissolved Gases Nov. 1, 2018 - March 31, 2022

How to cite

APA:

Klein, T., Lenahan, F., Kerscher, M., Jander, J.H., Rausch, M.H., Koller, T.M., & Fröba, A.P. (2021). Viscosity and Interfacial Tension of Binary Mixtures of n-Hexadecane with Dissolved Gases Using Surface Light Scattering and Equilibrium Molecular Dynamics Simulations. Journal of Chemical and Engineering Data, 66(8), 3205-3218. https://dx.doi.org/10.1021/acs.jced.1c00289

MLA:

Klein, Tobias, et al. "Viscosity and Interfacial Tension of Binary Mixtures of n-Hexadecane with Dissolved Gases Using Surface Light Scattering and Equilibrium Molecular Dynamics Simulations." Journal of Chemical and Engineering Data 66.8 (2021): 3205-3218.

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