TY - JOUR A1 - Moret, J.L.T.M. A1 - Alkemade, J. A1 - Upcraft, T.M. A1 - Paulßen, Elisabeth A1 - Wolterbeek, H.T. A1 - Ommen, J.R. van A1 - Denkova, A.G. T1 - The application of atomic layer deposition in the production of sorbents for ⁹⁹Mo/⁹⁹ᵐTc generator JF - Applied Radiation and Isotopes N2 - New production routes for ⁹⁹Mo are steadily gaining importance. However, the obtained specific activity is much lower than currently produced by the fission of U-235. To be able to supply hospitals with ⁹⁹Mo/⁹⁹ᵐTc generators with the desired activity, the adsorption capacity of the column material should be increased. In this paper we have investigated whether the gas phase coating technique Atomic Layer Deposition (ALD), which can deposit ultra-thin layers on high surface area materials, can be used to attain materials with high adsorption capacity for ⁹⁹Mo. For this purpose, ALD was applied on a silica-core sorbent material to coat it with a thin layer of alumina. This sorbent material shows to have a maximum adsorption capacity of 120 mg/g and has a ⁹⁹ᵐTc elution efficiency of 55 ± 2% based on 3 executive elutions. Y1 - 2020 U6 - http://dx.doi.org/10.1016/j.apradiso.2020.109266 SN - 0969-8043 VL - 164 IS - 109266 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Schiedermeier, Maximilian A1 - Rettner, Cornelius A1 - Heilmann, Marcel A1 - Schneider, Felix A1 - Marz, Martin T1 - Interference of automotive HV-DC-systems by traction voltage-source-inverters (VSI) JF - 2019 IEEE Transportation Electrification Conference (ITEC-India) Y1 - 2019 U6 - http://dx.doi.org/10.1109/ITEC-India48457.2019.ITECINDIA2019-37 SP - 1 EP - 6 PB - IEEE CY - New York ER - TY - JOUR A1 - El Moussaoui, Noureddine A1 - Talbi, Sofian A1 - Atmane, Ilyas A1 - Kassmi, Khalil A1 - Schwarzer, Klemens A1 - Chayeb, Hamid A1 - Bachiri, Najib T1 - Feasibility of a new design of a Parabolic Trough Solar Thermal Cooker (PSTC) JF - Solar Energy N2 - In this article, we describe the structure, the functioning, and the tests of parabolic trough solar thermal cooker (PSTC). This oven is designed to meet the needs of rural residents, including Urban, which requires stable cooking temperatures above 200 °C. The cooking by this cooker is based on the concentration of the sun's rays on a glass vacuum tube and heating of the oil circulate in a big tube, located inside the glass tube. Through two small tubes, associated with large tube, the heated oil, rise and heats the pot of cooking pot containing the food to be cooked (capacity of 5 kg). This cooker is designed in Germany and extensively tested in Morocco for use by the inhabitants who use wood from forests. During a sunny day, having a maximum solar radiation around 720 W/m2 and temperature ambient around 26 °C, maximum temperatures recorded of the small tube, the large tube and the center of the pot are respectively: 370 °C, 270 °C and 260 °C. The cooking process with food at high (fries, ..), we show that the cooking oil temperature rises to 200 °C, after 1 h of heating, the cooking is done at a temperature of 120 °C for 20 min. These temperatures are practically stable following variations and decreases in the intensity of irradiance during the day. The comparison of these results with those of the literature shows an improvement of 30–50 % on the maximum value of the temperature with a heat storage that could reach 60 min of autonomy. All the results obtained show the good functioning of the PSTC and the feasibility of cooking food at high temperature (>200 °C). Y1 - 2020 U6 - http://dx.doi.org/10.1016/j.solener.2020.03.079 SN - 0038-092X VL - 201 IS - Vol. 201 (May 2020) SP - 866 EP - 871 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Muschallik, Lukas A1 - Kipp, Carina Ronja A1 - Recker, Inga A1 - Bongaerts, Johannes A1 - Pohl, Martina A1 - Gelissen, Melanie A1 - Schöning, Michael Josef A1 - Selmer, Thorsten A1 - Siegert, Petra T1 - Synthesis of α-hydroxy ketones and vicinal diols with the Bacillus licheniformis DSM 13T butane-2, 3-diol dehydrogenase JF - Journal of Biotechnology N2 - The enantioselective synthesis of α-hydroxy ketones and vicinal diols is an intriguing field because of the broad applicability of these molecules. Although, butandiol dehydrogenases are known to play a key role in the production of 2,3-butandiol, their potential as biocatalysts is still not well studied. Here, we investigate the biocatalytic properties of the meso-butanediol dehydrogenase from Bacillus licheniformis DSM 13T (BlBDH). The encoding gene was cloned with an N-terminal StrepII-tag and recombinantly overexpressed in E. coli. BlBDH is highly active towards several non-physiological diketones and α-hydroxyketones with varying aliphatic chain lengths or even containing phenyl moieties. By adjusting the reaction parameters in biotransformations the formation of either the α-hydroxyketone intermediate or the diol can be controlled. Y1 - 2020 SN - 2590-1559 U6 - http://dx.doi.org/10.1016/j.jbiotec.2020.09.016 VL - 202 IS - Vol. 324 SP - 61 EP - 70 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Mayer, Jan A1 - Hentschke, Reinhard A1 - Hager, Jonathan A1 - Hojdis, Nils A1 - Karimi-Varnaneh, Hossein Ali T1 - A Nano-Mechanical Instability as Primary Contribution to Rolling Resistance JF - Scientific Reports Y1 - 2017 SN - 2045-2322 VL - 7 IS - Article number 11275 PB - Springer CY - Berlin ER - TY - JOUR A1 - Svaneborg, Carsten A1 - Karimi-Varzaneh, Hossein Ali A1 - Hojdis, Nils A1 - Fleck, Franz A1 - Everaers, Ralf T1 - Multiscale approach to equilibrating model polymer melts JF - Physical Review E N2 - We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally at the monomeric scale. We make use of models designed to be computationally effective at each scale. Density fluctuations in the melt structure above the tube scale are minimized through a Monte Carlo simulated annealing of a lattice polymer model. Subsequently the melt structure below the tube scale is equilibrated via the Rouse dynamics of a force-capped Kremer-Grest model that allows chains to partially interpenetrate. Finally the Kremer-Grest force field is introduced to freeze the topological state and enforce correct monomer packing. We generate 15 melts of 500 chains of 10.000 beads for varying chain stiffness as well as a number of melts with 1.000 chains of 15.000 monomers. To validate the equilibration process we study the time evolution of bulk, collective, and single-chain observables at the monomeric, mesoscopic, and macroscopic length scales. Extension of the present method to longer, branched, or polydisperse chains, and/or larger system sizes is straightforward. Y1 - 2016 U6 - http://dx.doi.org/10.1103/PhysRevE.94.032502 SN - 2470-0053 VL - 94 IS - 032502 PB - AIP Publishing CY - Melville, NY ER - TY - JOUR A1 - Schwab, Lukas A1 - Hojdis, Nils A1 - Lacayo, Jorge A1 - Wilhelm, Manfred T1 - Fourier-Transform Rheology of Unvulcanized, Carbon Black Filled Styrene Butadiene Rubber JF - Macromolecular Materials and Engineering N2 - Rubber materials filled with reinforcing fillers display nonlinear rheological behavior at small strain amplitudes below γ0 < 0.1. Nevertheless, rheological data are analyzed mostly in terms of linear parameters, such as shear moduli (G′, G″), which loose their physical meaning in the nonlinear regime. In this work styrene butadiene rubber filled with carbon black (CB) under large amplitude oscillatory shear (LAOS) is analyzed in terms of the nonlinear parameter I3/1. Three different CB grades are used and the filler load is varied between 0 and 70 phr. It is found that I3/1(φ) is most sensitive to changes of the total accessible filler surface area at low strain amplitudes (γ0 = 0.32). The addition of up to 70 phr CB leads to an increase of I3/1(φ) by a factor of more than ten. The influence of the measurement temperature on I3/1 is pronounced for CB levels above the percolation threshold. Y1 - 2016 U6 - http://dx.doi.org/10.1002/mame.201500356 SN - 1439-2054 VL - 301 IS - 4 SP - 457 EP - 468 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Harish, Ajay B. A1 - Wriggers, Peter A1 - Jungk, Juliane A1 - Hojdis, Nils A1 - Recker, Carla T1 - Mesoscale Constitutive Modeling of Non-Crystallizing Filled Elastomers JF - Computational Mechanics N2 - Elastomers are exceptional materials owing to their ability to undergo large deformations before failure. However, due to their very low stiffness, they are not always suitable for industrial applications. Addition of filler particles provides reinforcing effects and thus enhances the material properties that render them more versatile for applications like tyres etc. However, deformation behavior of filled polymers is accompanied by several nonlinear effects like Mullins and Payne effect. To this day, the physical and chemical changes resulting in such nonlinear effect remain an active area of research. In this work, we develop a heterogeneous (or multiphase) constitutive model at the mesoscale explicitly considering filler particle aggregates, elastomeric matrix and their mechanical interaction through an approximate interface layer. The developed constitutive model is used to demonstrate cluster breakage, also, as one of the possible sources for Mullins effect observed in non-crystallizing filled elastomers. Y1 - 2016 U6 - http://dx.doi.org/10.1007/s00466-015-1251-1 SN - 1432-0924 VL - 57 SP - 653 EP - 677 PB - Springer CY - Berlin ER - TY - JOUR A1 - Hentschke, Reinhard A1 - Hager, Jonathan A1 - Hojdis, Nils T1 - Molecular Modeling Approach to the Prediction of Mechanical Properties of Silica-Reinforced Rubbers JF - Journal of Applied Polymer Science N2 - Recently, we have suggested a nanomechanical model for dissipative loss in filled elastomer networks in the context of the Payne effect. The mechanism is based on a total interfiller particle force exhibiting an intermittent loop, due to the combination of short-range repulsion and dispersion forces with a long-range elastic attraction. The sum of these forces leads, under external strain, to a spontaneous instability of “bonds” between the aggregates in a filler network and attendant energy dissipation. Here, we use molecular dynamics simulations to obtain chemically realistic forces between surface modified silica particles. The latter are combined with the above model to estimate the loss modulus and the low strain storage modulus in elastomers containing the aforementioned filler-compatibilizer systems. The model is compared to experimental dynamic moduli of silica filled rubbers. We find good agreement between the model predictions and the experiments as function of the compatibilizer's molecular structure and its bulk concentration. KW - theory and modeling KW - supramolecular structures KW - rubber KW - mechanical properties KW - elastomers Y1 - 2014 U6 - http://dx.doi.org/10.1002/app.40806 SN - 1097-4628 VL - 131 IS - 18 SP - 1 EP - 9 PB - Wiley CY - New York, NY ER - TY - PAT A1 - Finger, Sebastian A1 - Hojdis, Nils A1 - Menglong, Huang T1 - Sekundäre galvanische Zelle N2 - Die vorliegende Erfindung betrifft eine sekundäre galvanische Zelle, umfassend eine Kathode, eine Anode und einen Separator, der zwischen der Kathode und der Anode angeordnet ist, wobei die Kathode ein erstes elastomeres Polymer umfasst, welches mit einem ersten Füllstoff als Kathodenmaterial gefüllt ist, wobei die Anode ein zweites elastomeres Polymer umfasst, welches mit einem zweiten Füllstoff als Anodenmaterial gefüllt ist, wobei der Separator ein drittes elastomeres Polymer umfasst, wobei das erste elastomere Polymer, das zweite elastomere Polymer und das dritte elastomere Polymer unabhängig voneinander aus vernetzungsfähigen Dienkautschuken ausgewählt sind, und wobei zumindest eines von dem ersten elastomeren Polymer, dem zweiten elastomeren Polymer und dem dritten elastomeren Polymer eine ionische Flüssigkeit und/oder ein elektrisch leitfähiges Polymer enthält. Die vorliegende Erfindung betrifft ferner eine wiederaufladbare Batterie, umfassend die erfindungsgemäße sekundäre galvanische Zelle, ein Verfahren zur Herstellung einer sekundären galvanischen Zelle sowie die Verwendung der erfindungsgemäßen sekundären galvanischen Zelle sowie der erfindungsgemäßen wiederaufladbaren Batterie. Y1 - 2020 N1 - Patent DE102018222385A1 25.06.2020 auch veröffentlicht unter EP3671932A1 ER - TY - PAT A1 - Hojdis, Nils A1 - Recker, Carla T1 - Schwefelvernetzte Kautschukmischung für Fahrzeugreifen enthaltend Carbon Nanotubes (cnt), Fahrzeugreifen, Der Die schwefelvernetzte Kautschukmischung aufweist, sowie Verfahren zur Herstellung der schwefelvernetzten Kautschukmischung enthaltend Cnt Y1 - 2020 N1 - Patent EP000003625288A1 25.03.2020 auch veröffentlicht unter CN110678508A; DE102017208137A1; WO2018210471A1 ER - TY - PAT A1 - Ehmke, Tobias A1 - Finger, Sebastian A1 - Hojdis, Nils A1 - Kurz, Martin A1 - Nawrocka-Herczynska, Monika T1 - Funkeinheit und Vorrichtung mit einer Funkeinheit N2 - Dargestellt und beansprucht ist eine Funkeinheit mit einem Funkbauteil, einer elektrisch leitfähigen Antenne und einem Kunststoffverbindungsmittel. Das Funkbauteil weist einen Antennenanschluss auf. Das Kunststoffverbindungsmittel weist ein erstes Elastomermaterial mit elektrisch leitfähigem Zusatzmaterial auf, so dass das Kunststoffverbindungsmittel elektrisch leitfähig ist. Das Kunststoffverbindungsmittel bildet eine mechanische und elektrisch leitfähige Verbindung zwischen dem Antennenanschluss und der Antenne. Weiterhin wird eine Vorrichtung mit einem ein Matrixmaterial mit oder aus einem zweiten Elastomermaterial und einer Funkeinheit beschrieben und beansprucht, wobei die Funkeinheit vollständig in das Matrixmaterial eingebettet ist. Die Vorrichtung kann insbesondere ein Fahrzeugreifen sein. Y1 - 2020 N1 - Patent DE102018222380A1 25.06.2020 ER - TY - PAT A1 - Hojdis, Nils T1 - Verfahren zum Bestimmen einer Sitzeinstellung eines Sitzes eines Kraftfahrzeugs, Computerprogrammprodukt, Servereinrichtung, Kommunikationsendgerät und Kraftfahrzeug N2 - Die Erfindung betrifft ein Verfahren zum Bestimmen einer Sitzeinstellung (23) eines Sitzes (3) eines Kraftfahrzeugs (1), bei welchem folgende Schritte durchgeführt werden:- Bereitstellen einer Körperabmessung (12) eines Nutzers (6) des Kraftfahrzeugs (1);- Bereitstellen einer Sitzeigenschaft (13) des Sitzes (3) des Kraftfahrzeugs (1);- Bereitstellen eines mit zumindest einer Referenzsitzeigenschaft (20), zumindest einer Referenzkörperabmessung (21) und zumindest einer Referenzsitzeinstellung (22) trainiertes künstliches neuronales Netz (14); und- Bestimmen der Sitzeinstellung (23) durch Eingabe der Körperabmessung (12) und der Sitzeigenschaft (13) in das künstliche neuronale Netz (14). Y1 - 2019 N1 - Patent DE102018211831A1 05.12.2019 ER - TY - PAT A1 - Dauer, David-Raphael A1 - Hojdis, Nils A1 - Müller, Norbert A1 - Recker, Carla A1 - Schax, Fabian A1 - Schöffel, Julia A1 - Tarantola, Gesa A1 - Weber, Christine T1 - Schwefelvernetzbare Kautschukmischung, Vulkanisat der Kautschukmischung und Fahrzeugreifen N2 - Die Erfindung betrifft eine schwefelvernetzbare Kautschukmischung, deren Vulkanisat und einen Fahrzeugreifen.Die schwefelvernetzbare Kautschukmischung enthält wenigstens die folgenden Bestandteile:- wenigstens einen Dienkautschuk; und- 10 bis 300 phr wenigstens einer Kieselsäure ; und- 1 bis 30 phf wenigstens eines Silans A mit der allgemeinen Summenformel A-I)und- 0,5 bis 30 phf wenigstens eines Silans B mit der allgemeinen Summenformel B-I)wobei u gleich 0, 1, 2 oder 3 und v gleich 0 oder 1 ist. Y1 - 2019 N1 - Patent DE102017221236A1 29.05.2019 auch veröffentlicht unter CN111405987A; TW201925305A; WO2019105615A1 ER - TY - JOUR A1 - Everaers, Ralf A1 - Karimi-Varzaneh, Hossein Ali A1 - Fleck, Franz A1 - Hojdis, Nils A1 - Svaneborg, Carsten T1 - Kremer–Grest Models for Commodity Polymer Melts: Linking Theory, Experiment, and Simulation at the Kuhn Scale JF - Macromolecules N2 - The Kremer–Grest (KG) polymer model is a standard model for studying generic polymer properties in molecular dynamics simulations. It owes its popularity to its simplicity and computational efficiency, rather than its ability to represent specific polymers species and conditions. Here we show that by tuning the chain stiffness it is possible to adapt the KG model to model melts of real polymers. In particular, we provide mapping relations from KG to SI units for a wide range of commodity polymers. The connection between the experimental and the KG melts is made at the Kuhn scale, i.e., at the crossover from the chemistry-specific small scale to the universal large scale behavior. We expect Kuhn scale-mapped KG models to faithfully represent universal properties dominated by the large scale conformational statistics and dynamics of flexible polymers. In particular, we observe very good agreement between entanglement moduli of our KG models and the experimental moduli of the target polymers. Y1 - 2020 U6 - http://dx.doi.org/10.1021/acs.macromol.9b02428 SN - 1520-5835 VL - 53 IS - 6 SP - 1901 EP - 1916 PB - ACS Publications CY - Washington, DC ER - TY - JOUR A1 - Meyer, Jan A1 - Hentschke, Reinhard A1 - Hager, Jonathan A1 - Hojdis, Nils A1 - Karimi-Varzaneh, Hossein Ali T1 - Molecular Simulation of Viscous Dissipation due to Cyclic Deformation of a Silica–Silica Contact in Filled Rubber JF - Macromolecules Y1 - 2017 U6 - http://dx.doi.org/10.1021/acs.macromol.7b00947 SN - 1520-5835 VL - 50 IS - 17 SP - 6679 EP - 6689 ER - TY - JOUR A1 - Hager, Jonathan A1 - Hentschke, Reinhard A1 - Hojdis, Nils A1 - Karimi-Varzaneh, Hossein Ali T1 - Computer Simulation of Particle–Particle Interaction in a Model Polymer Nanocomposite JF - Macromolecules Y1 - 2015 U6 - http://dx.doi.org/10.1021/acs.macromol.5b01864 SN - 1520-5835 VL - 48 IS - 24 SP - 9039 EP - 9049 ER - TY - JOUR A1 - Waller, Mark P. A1 - Braun, Heiko A1 - Hojdis, Nils A1 - Bühl, Michael T1 - Geometries of Second-Row Transition-Metal Complexes from Density-Functional Theory JF - Journal of Chemical Theory and Computation Y1 - 2007 U6 - http://dx.doi.org/10.1021/ct700178y SN - 1549-9626 VL - 3 IS - 6 SP - 2234 EP - 2242 ER - TY - JOUR A1 - Svaneborg, Carsten A1 - Karimi-Varzaneh, Hossein Ali A1 - Hojdis, Nils A1 - Fleck, Franz A1 - Everaers, Ralf T1 - Kremer-Grest Models for Universal Properties of Specific Common Polymer Species JF - Soft Condensed Matter N2 - The Kremer-Grest (KG) bead-spring model is a near standard in Molecular Dynamic simulations of generic polymer properties. It owes its popularity to its computational efficiency, rather than its ability to represent specific polymer species and conditions. Here we investigate how to adapt the model to match the universal properties of a wide range of chemical polymers species. For this purpose we vary a single parameter originally introduced by Faller and Müller-Plathe, the chain stiffness. Examples include polystyrene, polyethylene, polypropylene, cis-polyisoprene, polydimethylsiloxane, polyethyleneoxide and styrene-butadiene rubber. We do this by matching the number of Kuhn segments per chain and the number of Kuhn segments per cubic Kuhn volume for the polymer species and for the Kremer-Grest model. We also derive mapping relations for converting KG model units back to physical units, in particular we obtain the entanglement time for the KG model as function of stiffness allowing for a time mapping. To test these relations, we generate large equilibrated well entangled polymer melts, and measure the entanglement moduli using a static primitive-path analysis of the entangled melt structure as well as by simulations of step-strain deformation of the model melts. The obtained moduli for our model polymer melts are in good agreement with the experimentally expected moduli. Y1 - 2018 IS - 1606.05008 ER - TY - BOOK A1 - Lauth, Jakob T1 - Physikalische Chemie kompakt KW - Physikalische Chemie Y1 - 2022 SN - 978-3-662-64587-1 U6 - http://dx.doi.org/https://doi.org/10.1007/978-3-662-64588-8 PB - Springer Spektrum CY - Berlin ER -