| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Schröder, Christian
University of Vienna
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (12/12 displayed)
- 2024Effects of N-functional groups on the electron transfer kinetics of VO 2+ /VO 2 + at carbon:Decoupling morphology from chemical effects using model systemscitations
- 2024Computational chemistry analysis of passive layer formation and breakdown mechanisms in ferritic stainless steelscitations
- 2022Influence of Graphene Type and Content on Friction and Wear of Silicon Carbide/Graphene Nanocomposites in Aqueous Environmentcitations
- 2022Surface Free Energy Dominates the Biological Interactions of Postprocessed Additively Manufactured Ti-6Al-4Vcitations
- 2022Molecular dynamics simulation of polypropylene: diffusion and sorption of H2O, H2O2, H2, O2 and determination of the glass transition temperaturecitations
- 2020Sensors / Reviewing Magnetic Particle Preparation: Exploring the Viability in Biosensingcitations
- 2020Reviewing Magnetic Particle Preparation: Exploring the Viability in Biosensingcitations
- 2018Effect of mechanochemically functionalized multilayer graphene on the tribological properties of silicon carbide/graphene nanocomposites in aqueous environmentcitations
- 2018Langevin behavior of the dielectric decrement in ionic liquid water mixturescitations
- 2013Communication: Solvation and dielectric response in ionic liquids-Conductivity extension of the continuum modelcitations
- 2011The influence of polarizability on the dielectric spectrum of the ionic liquid 1-ethyl-3-methylimidazolium triflate
- 2010Using fit functions in computational dielectric spectroscopycitations
Places of action
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article
Using fit functions in computational dielectric spectroscopy
Abstract
This work deals with the development of an appropriate set of fit functions for describing dielectric spectra based on simulated raw data. All these fit functions are of exponential character with properly chosen cofunctions. The type of the cofunctions is different for translation, rotation and their coupling. As an alternative to multiexponential fits we also discuss Kohlrausch-Williams-Watts functions. Since the corresponding Fourier-Laplace series for these stretched exponentials has severe convergence problems, we represent their Fourier-Laplace spectrum as a Havriliak-Negami expression with properly chosen parameters. A general relation between the parameter of the Kohlrausch-Williams-Watts and the Havriliak-Negami parameters is given. The set of fit functions is applied to the concrete simulation of the hydrated ionic liquid 1-ethyl-3-methyl-imidazolium triflate with H2O. The systematic variation of the water mole fraction permits to study the gradual transition from a neutral molecular liquid to molecular ionic liquids.