44 Einträge gefunden

1. Unveiling the role of 2D monolayer Mn-doped MoS₂ material: toward an efficient electrocatalyst for H₂ evolution reaction

   1. Ekka, Joy
   2. Upadhyay, Shrish Nath
   3. Keil, Frerich
   4. Pakhira, Srimanta

   2022 - TUHH Open Research
2. Kinetic modeling of nitrous oxide decomposition on Fe-ZSM-5 in the presence of nitric oxide based on parameters obtained from first-principles calculations

   1. Aranifard, Sara
   2. Bell, Alexis T.
   3. Keil, Frerich
   4. Heyden, Andreas

   2021 - TUHH Open Research
3. Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids

   1. Bukowski, Brandon C.
   2. Keil, Frerich
   3. Ravikovitch, Peter I.
   4. Sastre, German
   5. Snurr, Randall Q.
   6. Coppens, Marc-Olivier

   2021 - TUHH Open Research - frei zugänglich
4. Kinetic parameters estimation via dragonfly algorithm (DA) and comparison of cylindrical and spherical reactors performance for CO₂ hydrogenation to hydrocarbons

   1. Najari, Sara
   2. Saeidi, Samrand
   3. Gróf, Gyula
   4. Keil, Frerich
   5. Rodrigues‬, Alírio E.

   2020 - TUHH Open Research
5. Rigorous lower bounds for the ground state energy of molecules by employing necessary N-representability conditions

   1. Chaykin, Denis
   2. Jansson, Christian
   3. Keil, Frerich
   4. Lange, Marko
   5. Ohlhus, Kai Torben
   6. Rump, Siegfried M.

   2020 - TUHH Open Research
6. Deactivation and regeneration of Claus catalyst particles unraveled by pore network model

   1. Liu, Xinlei
   2. Zhang, Qunfeng
   3. Ye, Guanghua
   4. Li, Jinjin
   5. Li, Ping
   6. Zhou, Xinggui
   7. Keil, Frerich

   2020 - TUHH Open Research
7. Diffusion of Water and Carbon Dioxide and Mixtures Thereof in Mg-MOF-74

   1. Bendt, Stephan
   2. Dong, Ying
   3. Keil, Frerich

   2019 - TUHH Open Research
8. Enhanced performance of catalyst pellets for methane dry reforming by engineering pore network structure

   1. Liu, Xinlei
   2. Wang, Hailang
   3. Ye, Guanghua
   4. Zhou, Xinggui
   5. Keil, Frerich

   2019 - TUHH Open Research
9. Ethylene Hydrogenation in Pellets with Different Pore Structures, Measured in a One-Sided Single-Pellet Reactor

   1. Argönül, Aykut
   2. Keil, Frerich

   2019 - TUHH Open Research
10. Optimizing catalyst pore network structure in the presence of deactivation by coking

    1. Ye, Guanghua
    2. Wang, Haizhi
    3. Zhou, Xinggui
    4. Keil, Frerich
    5. Coppens, Marc Olivier
    6. Yuan, Weikang

    2019 - TUHH Open Research
11. Process intensification

    1. Keil, Frerich

    2018 - TUHH Open Research
12. Molecular modelling for reactor design

    1. Keil, Frerich

    2018 - TUHH Open Research
13. Rigorous results in electronic structure calculations

    1. Chaykin, Denis
    2. Jansson, Christian
    3. Keil, Frerich
    4. Lange, Marko
    5. Ohlhus, Kai Torben
    6. Rump, Siegfried M.

    2016 - TUHH Open Research
14. Pyrite nanoparticles: An Earth-abundant mineral catalyst for activation of molecular hydrogen and hydrogenation of nitroaromatics

    1. Ma, Ben
    2. Tong, Xili
    3. Guo, Congxiu
    4. Guo, Xiaoning
    5. Guo, Xiangyun
    6. Keil, Frerich

    2016 - TUHH Open Research
15. Olefin/Paraffin Separation Potential of ZIF-9 and ZIF-71: A Combined Experimental and Theoretical Study

    1. Bendt, Stephan
    2. Hovestadt, Maximilian
    3. Böhme, Ulrike
    4. Paula, Carolin
    5. Döpken, Merle
    6. Hartmann, Martin
    7. Keil, Frerich

    2016 - TUHH Open Research
16. A dynamic bifurcation criterion for thermal runaway during the flash sintering of ceramics

    1. Pereira da Silva, João Gustavo
    2. Al-Qureshi, Hazim Ali
    3. Keil, Frerich
    4. Janßen, Rolf

    2016 - TUHH Open Research
17. Effect of the catalyst pore structure on fixed-bed reactor performance of partial oxidation of n-butane: A simulation study

    1. Dong, Ying
    2. Keil, Frerich
    3. Korup, Oliver
    4. Rosowski, Frank
    5. Horn, Raimund

    2016 - TUHH Open Research
18. Methanol oxidation to formaldehyde on VSiBEA zeolite: A combined DFT/vdW/transition path sampling and experimental study

    1. Tranca, Diana C.
    2. Keil, Frerich
    3. Tranca, Ionut
    4. Calatayud, Monica
    5. Dzwigaj, Stanislaw
    6. Trejda, Maciej
    7. Tielens, Frederik

    2015 - TUHH Open Research
19. Hexane Cracking on ZSM-5 and Faujasite Zeolites: A QM/MM/QCT Study

    1. Tranca, Diana C.
    2. Zimmerman, P. M.
    3. Gomes, J.
    4. Lambrecht, D.
    5. Keil, Frerich
    6. Head-Gordon, Martin
    7. Bell, Alexis T.

    2015 - TUHH Open Research
20. Transport in nanoporous materials including MOFs : the applicability of Fick’s laws

    1. Titze, Tobias
    2. Lauerer, Alexander
    3. Heinke, Lars
    4. Chmelik, Christian
    5. Zimmermann, Nils E. R.
    6. Keil, Frerich
    7. Ruthven, Douglas M.

    2015 - TUHH Open Research - frei zugänglich