Tobias Klein
Dr.-Ing. Tobias Klein
Department of Chemical and Biological Engineering (CBI)
Institute of Advanced Optical Technologies - Thermophysical Properties
91052 Erlangen
Germany
- Phone number: +49913185-25843
- Fax number: +49913185-25878
- Email: tobias.klein@fau.de
- Website: http://www.aot-tp.tf.fau.de
Research focus of the group “Thermophysical Properties of Working Fluids in Energy Technology”
The research activities of the group focus on the characterization of working fluids in energy technology through the determination of their thermophysical properties using both conventional and light scattering experiments as well as molecular dynamics (MD) simulations. For the design of processes and apparatuses in energy technology, equilibrium properties of working fluids, such as density and surface tension, as well as their transport properties, like viscosity and thermal as well as mass diffusivities have to be known. At present, electrolytes and hydrocarbon-based systems with dissolved gases, which play an important role for energy transport and storage, are of special interest in the group. By combining experiments and simulations, not only a reliable determination of thermophysical properties can be achieved, but also a fundamental understanding of their dependencies on the molecular and fluid structure. This knowledge contributes to the development of structure-property relationships and semi-empirical equations for the prediction of thermophysical properties of working fluids relevant in energy technology.
Publications:
2024
Prediction of Fick Diffusion Coefficients in Binary Mixtures of Liquids with Dissolved Gases at Infinite Dilution─A Review
In: Journal of Chemical and Engineering Data 69 (2024), p. 692-702
ISSN: 0021-9568
DOI: 10.1021/acs.jced.3c006182023
Diffusion coefficients in binary electrolyte mixtures by dynamic light scattering and molecular dynamics simulations
In: Electrochimica Acta 462 (2023), Article No.: 142637
ISSN: 0013-4686
DOI: 10.1016/j.electacta.2023.142637
Revealing the Effects of Weak Surfactants on the Dynamics of Surface Fluctuations by Surface Light Scattering
In: Journal of Physical Chemistry B 127 (2023), p. 10647-10658
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.3c06309
Molecular dynamics simulations of liquid ethane up to 298.15 K
In: Molecular Physics (2023), Article No.: e2211401
ISSN: 0026-8976
DOI: 10.1080/00268976.2023.2211401
Mutual and Thermal Diffusivities in Binary Mixtures of n-Hexane or 1-Hexanol with Krypton, R143a, or Sulfur Hexafluoride by Using Dynamic Light Scattering and Molecular Dynamics Simulations
In: Journal of Chemical and Engineering Data 68 (2023), p. 1343-1357
ISSN: 0021-9568
DOI: 10.1021/acs.jced.3c00143
Diffusivities in Binary Mixtures of Cyclohexane or Ethyl Butanoate with Dissolved CH4 or R143a Close to Infinite Dilution
In: Journal of Chemical and Engineering Data 68 (2023), p. 339-348
ISSN: 0021-9568
DOI: 10.1021/acs.jced.2c00696
Diffusivities in Binary Mixtures of Ammonia Dissolved in n-Hexane, 1-Hexanol, or Cyclohexane Determined by Dynamic Light Scattering and Molecular Dynamics Simulations
In: Journal of Chemical and Engineering Data 68 (2023), p. 2585–2598
ISSN: 0021-9568
DOI: 10.1021/acs.jced.3c004372022
Viscosity and Interfacial Tension of Binary Mixtures Consisting of an n-Alkane, Branched Alkane, Primary Alcohol, or Branched Alcohol and a Dissolved Gas Using Equilibrium Molecular Dynamics Simulations
In: International Journal of Thermophysics 43 (2022), Article No.: ARTN 112
ISSN: 0195-928X
DOI: 10.1007/s10765-022-03038-5
Influence of dissolved hydrogen on the viscosity and interfacial tension of the liquid organic hydrogen carrier system based on diphenylmethane by surface light scattering and molecular dynamics simulations
In: International Journal of Hydrogen Energy 47 (2022), p. 39163-39178
ISSN: 0360-3199
DOI: 10.1016/j.ijhydene.2022.09.078
Viscosity and Interfacial Tension of Binary Mixtures Consisting of Linear, Branched, Cyclic, or Oxygenated Hydrocarbons with Dissolved Gases Using Surface Light Scattering and Equilibrium Molecular Dynamics Simulations
In: International Journal of Thermophysics 43 (2022), Article No.: 88
ISSN: 0195-928X
DOI: 10.1007/s10765-022-03012-1
Diffusivities in Binary Mixtures of n-Decane, n-Hexadecane, n-Octacosane, 2-Methylpentane, 2,2-Dimethylbutane, Cyclohexane, Benzene, Ethanol, 1-Decanol, Ethyl Butanoate, or n-Hexanoic Acid with Dissolved He or Kr Close to Infinite Dilution
In: Journal of Chemical and Engineering Data 67 (2022), p. 622-635
ISSN: 0021-9568
DOI: 10.1021/acs.jced.1c00922
Viscosity and Interfacial Tension of Ternary Mixtures Consisting of Linear Alkanes, Alcohols, and/or Dissolved Gases Using Surface Light Scattering and Equilibrium Molecular Dynamics Simulations
In: International Journal of Thermophysics 43 (2022), Article No.: ARTN 116
ISSN: 0195-928X
DOI: 10.1007/s10765-022-03040-x
Mutual and Thermal Diffusivities in Mixtures of Cyclohexane, n-Hexadecane, n-Octacosane, or n-Hexanoic Acid with Carbon Dioxide Obtained by Dynamic Light Scattering and Molecular Dynamics Simulations
In: Journal of Chemical and Engineering Data 67 (2022), p. 3059-3076
ISSN: 0021-9568
DOI: 10.1021/acs.jced.2c00487
Effect of the degree of hydrogenation on the viscosity, surface tension, and density of the liquid organic hydrogen carrier system based on diphenylmethane
In: International Journal of Hydrogen Energy 47 (2022), p. 6111-6130
ISSN: 0360-3199
DOI: 10.1016/j.ijhydene.2021.11.1982021
Viscosity and Interfacial Tension of Binary Mixtures of n-Hexadecane with Dissolved Gases Using Surface Light Scattering and Equilibrium Molecular Dynamics Simulations
In: Journal of Chemical and Engineering Data 66 (2021), p. 3205-3218
ISSN: 0021-9568
DOI: 10.1021/acs.jced.1c00289
Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf2] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations
In: Journal of Physical Chemistry B 125 (2021), p. 5100-5113
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.1c01616
Viscosity, Interfacial Tension, and Density of Binary-Liquid Mixtures of n-Hexadecane with n-Octacosane, 2,2,4,4,6,8,8-Heptamethylnonane, or 1-Hexadecanol at Temperatures between 298.15 and 573.15 K by Surface Light Scattering and Equilibrium Molecular Dynamics Simulations
In: Journal of Chemical and Engineering Data 66 (2021), p. 2264-2280
ISSN: 0021-9568
DOI: 10.1021/acs.jced.1c00108
Diffusivities in Binary Mixtures of n-Hexane or 1-Hexanol with Dissolved CH4, Ne, Kr, R143a, SF6, or R236fa Close to Infinite Dilution
In: Journal of Chemical and Engineering Data 66 (2021), p. 2218-2232
ISSN: 0021-9568
DOI: 10.1021/acs.jced.1c000842020
Thermophysical properties of diphenylmethane and dicyclohexylmethane as a reference liquid organic hydrogen carrier system from experiments and molecular simulations
In: International Journal of Hydrogen Energy 45 (2020), p. 28903-28919
ISSN: 0360-3199
DOI: 10.1016/j.ijhydene.2020.07.261
Characterization of Long Linear and Branched Alkanes and Alcohols for Temperatures up to 573.15 K by Surface Light Scattering and Molecular Dynamics Simulations
In: Journal of Physical Chemistry B 124 (2020), p. 4146-4163
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.0c01740
Diffusivities in Binary Mixtures of [AMIM][NTf2] Ionic Liquids with the Dissolved Gases H2, He, N2, CO, CO2, or Kr Close to Infinite Dilution
In: Journal of Chemical and Engineering Data 65 (2020), p. 4116–4129
ISSN: 0021-9568
DOI: 10.1021/acs.jced.0c00430
Surface Tension and Viscosity of Binary Mixtures of the Fluorinated and Non-fluorinated Ionic Liquids [PFBMIm][PF6] and [C4C1Im][PF6] by the Pendant Drop Method and Surface Light Scattering
In: International Journal of Thermophysics 41 (2020), Article No.: 144
ISSN: 0195-928X
DOI: 10.1007/s10765-020-02720-w
Dynamic light scattering for studying mutual diffusion coefficients in electrolyte systems comprised entirely of ions
In: Journal of The Electrochemical Society 167 (2020), Article No.: abb97d
ISSN: 0013-4651
DOI: 10.1149/1945-7111/abb97d
Mutual and Thermal Diffusivities as Well as Fluid-Phase Equilibria of Mixtures of 1-Hexanol and Carbon Dioxide
In: Journal of Physical Chemistry B 124 (2020), p. 2482-2494
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.0c006462019
Liquid Viscosity and Interfacial Tension of Binary and Ternary Mixtures Containing n-Octacosane by Surface Light Scattering
In: Journal of Chemical and Engineering Data 64 (2019), p. 817-826
ISSN: 0021-9568
DOI: 10.1021/acs.jced.8b01139
Liquid Viscosity and Surface Tension of n-Hexane, n-Octane, n-Decane, and n-Hexadecane up to 573 K by Surface Light Scattering
In: Journal of Chemical and Engineering Data 64 (2019), p. 4116-4131
ISSN: 0021-9568
DOI: 10.1021/acs.jced.9b00525
Interfacial tensions and viscosities in multiphase systems by surface light scattering (SLS)
In: Journal of Colloid and Interface Science 538 (2019), p. 671-681
ISSN: 0021-9797
DOI: 10.1016/j.jcis.2018.11.095
Interfacial Tension and Liquid Viscosity of Binary Mixtures of n-Hexane, n-Decane, or 1-Hexanol with Carbon Dioxide by Molecular Dynamics Simulations and Surface Light Scattering
In: International Journal of Thermophysics 40 (2019), Article No.: 79
ISSN: 0195-928X
DOI: 10.1007/s10765-019-2544-y
Diffusivities in 1-alcohols containing dissolved H2, He, N2, CO, or CO2 close to infinite dilution
In: Journal of Physical Chemistry B 123 (2019), p. 8777–8790
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.9b062112018
Thermal, Mutual, and Self-Diffusivities of Binary Liquid Mixtures Consisting of Gases Dissolved in n-Alkanes at Infinite Dilution
In: Journal of Physical Chemistry B 122 (2018), p. 3163-3175
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.8b00733
Viscosity and Surface Tension of Branched Alkanes 2-Methylnonane and 4-Methylnonane
In: Journal of Chemical and Engineering Data 63 (2018), p. 2833-2839
ISSN: 0021-9568
DOI: 10.1021/acs.jced.8b00163
Influence of Liquid Structure on Fickian Diffusion in Binary Mixtures of n-Hexane and Carbon Dioxide Probed by Dynamic Light Scattering, Raman Spectroscopy, and Molecular Dynamics Simulations
In: Journal of Physical Chemistry B 122 (2018), p. 7122-7133
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.8b035682017
Simultaneous Analysis of Equilibrium Fluctuations at the Surface and in the Bulk of a Binary Liquid Mixture by Dynamic Light Scattering
In: Journal of Physical Chemistry B 121 (2017), p. 10950-10956
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.7b09770
Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering
In: Journal of Chemical and Engineering Data 62 (2017), p. 3319-3333
ISSN: 0021-9568
DOI: 10.1021/acs.jced.7b00363