Visitor to PoreLab Trondheim: Welcome to Janett Prehl!

Janett Prehl, Research assistant in the group of Computational Physics, at the Technische Universität Chemnitz, will be visiting PoreLab in Trondheim from tomorrow, November the 14th until next Monday, November the 19th.

Welcome!

Her fields of research are as follow:Janett Prehl

  • Theoretical modeling of hierarchical structure formation of the twin polymerization process via utilizing reactive simulation approaches. The focus is on the investigation and characterization of thermodynamical and morphological properties and parameters of the twin polymerization process and its emerging nanoporous hybrid materials.
  • Theoretical description of anomalous diffusion processes utilizing fractional diffusion equations, bridging the regime between the diffusion- and the wave equation. The main interest is the analysis of this regime by using thermodynamical quantities like the entropy production and its corresponding unexpected or even paradoxical behavior.
  • Investigation of anomalous (sub-) diffusion processes in porous materials by stochastic modeling approaches. The porous media is represented using fractal structures, like Sierpinski carpets, whereas the resulting diffusion processes is simulated by random walk methods or the master equation approach.

Janett will give a presentation on Wednesday during our group lectures about: “Modeling the structure formation process of twin polymerization​.

Abstract: Twin polymerization [1] represents a new synthesis route to create nano- porous hybrid materials for a large number of different compositions contain- ing organic and inorganic structure domains of 0.5 to 3 nm. Although first theoretical and experimental investigations have been performed, the open question still remains: How does the structure formation process of twin polymerization, yielding these interweaved organic-inorganic nanoporous hy- brid materials, takes place in detail? Understanding the occurring effects and processes of the structure formation opens up the possibility to design (organic and/or inorganic) nanoporous materials with desired properties for industry. E.g. nanoporous materials are of great interest in applications like gas filter systems, catalyst or fuel cells.

In this framework we investigate different approaches on different length scales, i.e. coarse grained reactive bond fluctuation models [2], reaction kinet- ics models [3], reactive molecular dynamics [4], and density functional theory calculations [5]. Based on this broad range of methods we discuss our insights to the reaction mechanism itself, the resulting structure formation process, corresponding influence factors and its relation to experimental data.

References:

[1] T. Ebert, A. Seifert, S. Spange, Macromol. Rapid Commun. 2015, 36(18):1623–1639

[2] C. Huster, K. Nagel, S. Spange, J. Prehl, Chem. Phys. Lett. accepted

[3] J. Prehl, R. Masser, P. Salamon, K. H. Hoffmann, J. Non-Equilib. Thermody. 2018

43(4):347–357

[4] J. Prehl, T. Schönfelder, J. Friedrich, S. Spange, K. H. Hoffmann, J. Chem. Phys. C 2017

121(29): 15984–15992

[5] I. Tchernook, J. Prehl, J. Friedrich, Polymer 2015, 60:241–251

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