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 Tallarek Research Group

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Prof. Dr. rer. nat. habil. Ulrich Tallarek

PHYSICAL CHEMISTRY – MATERIALS SCIENCE – ANALYTICAL CHEMISTRY

Full Professor, Materials & Interface Science; Board of Directors, Materials Science Center


Department of Chemistry, Philipps-Universität Marburg
Hans-Meerwein-Strasse 4, D-35032 Marburg
Phone: +49-(0)6421-28-25727 (direct)
Phone: +49-(0)6421-28-27061 (secretary)
Fax: +49-(0)6421-28-27065
E-mail: ulrich.tallarek@staff.uni-marburg.de


Research: Functional Porous Solids – Morphology, Transport, Performance

  • High-performance computing of flow, electrokinetics, electrochemistry, and (electro)hydrodynamics in functional devices, e.g., catalytic reactors and battery electrodes
  • Three-dimensional physical reconstruction and morphological analysis of porous materials by electron tomography (mesopore scale) or confocal laser scanning microscopy and focused ion-beam scanning electron microscopy (macropore scale)
  • Modeling of diffusion, sorption, and reaction in porous solids for catalysis, separation, and energy storage using the obtained three-dimensional reconstructions as underlying geometrical models; development of multiscale sorption–reaction–transport models
  • Molecular dynamics (MD) simulations in computer-generated nanopores to unravel how chemical surface functionalization affects interfacial liquid-phase organization and mobility as well as solute transport
  • Preparation of continuous-flow microreactors for high-performance flow chemistry, addressing particularly reaction kinetics and mechanisms (reaction order, rate constants, and activation energies)
  • Analytical separation science and technology (on-line coupled reaction-separation-detection for qualitative and quantitative analysis)
  • Tailored hierarchically porous, high-surface-area silica monoliths for catalysis and separation
  • Electrokinetic micro- and nanofluidics


Biographical Sketch and Research Philosophy

Professor Tallarek studied chemistry at the Eberhard-Karls-Universität Tübingen and obtained his Dr. rer. nat. in 1998 with an NMR imaging study of the fluid dynamics in porous media. As a Marie-Curie postdoctoral fellow from 1998 to 2000 in Wageningen (The Netherlands) he developed and applied NMR tools for the in situ characterization of transport in microfluidic devices, particularly electrokinetic microfluidics. From 2000 to 2007 he was on the faculty of the Department of Chemical and Process Engineering of the Otto-von-Guericke-Universität Magdeburg, where he completed his habilitation in 2004 (mentor: Prof. Dr.-Ing. Dr. h.c. mult. A. Seidel-Morgenstern) and received a venia legendi for physical chemistry. Since 2007 he is professor of analytical chemistry and a member of the board of directors of the materials science center at the Philipps-Universität Marburg.

His research focuses on the discovery and understanding of the fundamental morphology–functionality–transport relationships in functional porous materials, from solute–surface interactions to macroscale transport. This approach relies on modern simulation methods to capture the involved widely different spatiotemporal scales (e.g., molecular dynamics at and near solid-liquid interfaces, large-scale simulation of flow) and the precise physical reconstruction of porous media. A variety of experimental analysis methods are used to complement the modeled data.

More specifically, Professor Tallarek’s activities cover analytical and physicochemical research on experimental, theoretical, and numerical aspects of transport and reactions in porous media, with emphasis on separation science, heterogeneous catalysis, and energy-related applications. The investigated materials are patterned channels and membranes used as functional units in microfluidic devices (analyte preconcentration, seawater desalination, chip electrospray), as well as particulate and monolithic supports employed as separation columns, flow-through microreactors, or battery electrodes. His research investigates closely related topics and coupled transports with increasing complexity to achieve a thorough understanding of functionality, performance, and process integration. This comprises the reconstruction of monolithic and particulate bed morphologies over a hierarchy of length scales (from macropores to mesopores) and the characterization of the involved surfaces and interfaces, (electro)chemical reactions, fluid flow fields, and (electro)hydrodynamics. Experimental characterization methods are combined with direct imaging techniques and advanced numerical simulation approaches for the identification and analysis of key transport and reaction phenomena. Gained knowledge on how microscopic structural details and mesoscopic interrelations affect molecular transport allows to better analyze, understand, and optimize processes traditionally observed on a macroscopic scale.


Selected Publications (from 2013 to 2018)

● M. Kroll, D. Hlushkou, S. Schlabach, A. Höltzel, B. Roling & U. Tallarek (2018) Reconstruction–simulation approach verifies impedance-derived ion transport tortuosity of a graphite battery electrode. J. Electrochem. Soc. 165:A3156–A3163.

● A. Svidrytski, A. Rathi, D. Hlushkou, D. M. Ford, P. A. Monson & U. Tallarek (2018) Morphology of fluids confined in physically reconstructed mesoporous silica: Experiment and mean field density functional theory. Langmuir 34:9936–9945.

● S.-J. Reich, A. Svidrytski, A. Höltzel, J. Florek, F. Kleitz, W. Wang, C. Kübel, D. Hlushkou & U. Tallarek (2018) Hindered diffusion in ordered mesoporous silicas: Insights from pore-scale simulations in physical reconstructions of SBA-15 and KIT-6 silica. J. Phys. Chem. C 122:12350–12361.

● R. Kohns, C. P. Haas, A. Höltzel, C. Splith, D. Enke & U. Tallarek (2018) Hierarchical silica monoliths with submicron macropores as continuous-flow microreactors for reaction kinetic and mechanistic studies in heterogeneous catalysis. React. Chem. Eng. 3:353–364.

● D. Hlushkou, A. E. Reising, N. Kaiser, S. Spannenberger, S. Schlabach, Y. Kato, B. Roling & U. Tallarek (2018) The influence of void space on ion transport in a composite cathode for all-solid-state batteries. J. Power Sources 396:363–370.

● S.-J. Reich, A. Svidrytski, D. Hlushkou, D. Stoeckel, C. Kübel, A. Höltzel & U. Tallarek (2018) Hindrance factor expression for diffusion in random mesoporous adsorbents obtained from pore-scale simulations in physical reconstructions. Ind. Eng. Chem. Res. 57:3031–3042.

● C. P. Haas, T. Müllner, R. Kohns, D. Enke & U. Tallarek (2017) High-performance monoliths in heterogeneous catalysis with single-phase liquid flow. React. Chem. Eng. 2:498–511.

● J. Rybka, J. Kärger & U. Tallarek (2017) Single-molecule and ensemble diffusivities in individual nanopores with spatially dependent mobility. ChemPhysChem 18:7416–7426.

● D. Hlushkou, S. Piatrusha & U. Tallarek (2017) Impact of diffusion on transverse dispersion in two-dimensional ordered and random porous media. Phys. Rev. E 95:063108.

● T. Müllner, A. Zankel, A. Höltzel, F. Svec & U. Tallarek (2017) Morphological properties of methacrylate-based polymer monoliths: From gel porosity to macroscopic inhomogeneities. Langmuir 33:2205–2214.

● D. Hlushkou, A. Svidrytski & U. Tallarek (2017) Tracer-size-dependent pore space accessibility and long-time diffusion coefficient in amorphous, mesoporous silica. J. Phys. Chem. C 121:8416–8426.

● D. Enke, R. Gläser & U. Tallarek (2016) Sol–gel and porous glass-based silica monoliths with hierarchical pore structure for solid–liquid catalysis. Chem. Ing. Tech. 88:1561–1585.

● S. M. Melnikov, A. Höltzel, A. Seidel-Morgenstern & U. Tallarek (2016) A molecular dynamics view on hydrophilic interaction chromatography with polar-bonded phases: Properties of the water-rich layer at a silica surface modified with diol-functionalized alkyl chains. J. Phys. Chem. C 120:13126–13138.

● V. Baranau & U. Tallarek (2016) Chemical potential and entropy in monodisperse and polydisperse hard-sphere fluids using Widom's particle insertion method and a pore size distribution-based insertion probability. J. Chem. Phys. 144:214503.

● D. Hlushkou, K. N. Knust, R. M. Crooks & U. Tallarek (2016) Numerical simulation of electrochemical desalination. J. Phys.: Condens. Matter 28:194001.

● T. Müllner, K. K. Unger & U. Tallarek (2016) Characterization of microscopic disorder in reconstructed porous materials and assessment of mass transport-relevant structural descriptors. New J. Chem. 40:3993–4015.

● J. Rybka, A. Höltzel, S. M. Melnikov, A. Seidel-Morgenstern & U. Tallarek (2016) A new view on surface diffusion from molecular dynamics simulations of solute mobility at chromatographic interfaces. Fluid Phase Equilib. 407:177–187.

● T. Müllner, A. Zankel, Y. Lv, F. Svec, A. Höltzel & U. Tallarek (2015) Assessing structural correlations and heterogeneity length scales in functional porous polymers from physical reconstructions. Adv. Mater. 27:6009–6013.

● V. Baranau & U. Tallarek (2015) How to predict the ideal glass transition density in polydisperse hard-sphere packings. J. Chem. Phys. 143:044501.

● D. Stoeckel, C. Kübel, M. O. Loeh, B. M. Smarsly & U. Tallarek (2015) Morphological analysis of physically reconstructed silica monoliths with submicrometer macropores: Effect of decreasing domain size on structural homogeneity. Langmuir 31:7391–7400.

● S. Khirevich, I. Ginzburg & U. Tallarek (2015) Coarse- and fine-grid numerical behavior of MRT/TRT lattice-Boltzmann schemes in regular and random sphere packings. J. Comput. Phys. 281:708–742.

● H. Liasneuski, D. Hlushkou, S. Khirevich, A. Höltzel, U. Tallarek & S. Torquato (2014) Impact of microstructure on the effective diffusivity in random packings of hard spheres. J. Appl. Phys. 116:034904.

● T. Müllner, A. Zankel, F. Svec & U. Tallarek (2014) Finite-size effects in the 3D reconstruction and morphological analysis of porous polymers. Mater. Today 17:404–411.

● U. M. Scheven, S. Khirevich, A. Daneyko & U. Tallarek (2014) Longitudinal and transverse dispersion in flow through random packings of spheres: A quantitative comparison of experiments, simulations, and models. Phys. Rev. E 89:053023.

● D. Hlushkou, F. Gritti, G. Guiochon, A. Seidel-Morgenstern & U. Tallarek (2014) Effect of adsorption on solute dispersion: A microscopic stochastic approach. Anal. Chem. 86:4463–4470.

● S. M. Melnikov, A. Höltzel, A. Seidel-Morgenstern & U. Tallarek (2013) How ternary mobile phases allow tuning of analyte retention in hydrophilic interaction liquid chromatography. Anal. Chem. 85:8850–8856.

● K. N. Knust, D. Hlushkou, R. K. Anand, U. Tallarek & R. M. Crooks (2013) Electrochemically mediated seawater desalination. Angew. Chem. Int. Ed. 52:8107–8110.

● S. M. Melnikov, A. Höltzel, A. Seidel-Morgenstern & U. Tallarek (2013) Adsorption of water-acetonitrile mixtures to model silica surfaces. J. Phys. Chem. C 117:6620–6631.

● V. Baranau, D. Hlushkou, S. Khirevich & U. Tallarek (2013) Pore-size entropy of random hard-sphere packings. Soft Matter 9:3361–3372.

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Hindrance diffusion factor in random mesoporous adsorbents
The study of Reich et al. (2018) is featured online on Advances in Engineering.

Silver Jubilee Medal 2017
Professor Tallarek receives Silver Jubilee Medal 2017 from The Chromatographic Society.

 

Zuletzt aktualisiert: 16.12.2018

 
 
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