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25.07.2019A new issue of the PyNe newsletter from IEA Bioenergy Task 34 “Direct Thermochemical Liquefaction” has been published and can be accessed herer. It covers the first Task 34 meeting of the current triennium 2019-2021 that took place at IKFT/ KIT, an introduction to the new task members and outlook for the work plans of the next three years. Co-processing of bio-oils in existing refineries will definitely be an issue in Task 34, which is also reflected in the scientific oriented contributions in this newsletter.
12.07.2019The project NAMOSYN – Sustainable Mobility by Synthetic Fuels – has started.
Within the project NAMOSYN, which is funded by BMBF (funding around 20 million EUR) and coordinated by DECHEMA, synthetic fuels are developed for both, spark-ignition and diesel engines. The work is carried out by an interdisciplinary consortium comprising 37 partners and ranges from chemical synthesis to engine combustion. Thus, the complete value-added chain is considered and evaluated. The main objectives are a climate-neutral and sustainable strategy for liquid fuels together with a complete elimination of harmful emissions. In the research cluster 1B, which is coordinated by IKFT, alternative diesel fuels, the so-called oxymethylene ethers (OME), are investigated. These can be produced from renewable resources/energies and exhibit a clean combustion with drastically reduced soot and NOx emissions.
The main objective of cluster 1B is an efficient procedure for OME production which can be easily operated on industrial scale.
For further information see www.namosyn.de
08.07.2019During his visit at KIT on the fourth of July, the Parliamentary State Secretary in the Federal Ministry of Research was informed about the latest developments of the bioliq project and related work on renewable fuels of partners in industry, universities and other research institutions.
29.05.2019The initiation of the methanol-to-olefins (MTO) process was investigated using a multiscale modeling approach where more than 100 ab-initio computed (MP2:DFT) rate constants for H-SSZ-13 are used in a batch reactor model. The simulations unravel the dominant initiation pathway for H-SSZ-13: Dehydrogenation of methanol to CO is followed by CO-methylation leading to the formation of the first C-C bond in methyl acetate despite high barriers of >200 kJ/mol. Our multiscale approach is able to shed light on the reaction sequence that ultimately leads to olefin formation and strikingly demonstrates that only with a full reactor model that includes autocatalysis with olefins as co-catalysts one is able to understand the initiation mechanism on the atomic scale. [Plessow, P. N.; Smith A.; Tischer, S.; Studt, F. J. Am. Chem. Soc., Article ASAP]
28.02.2019Dr.-Ing. Axel Funke from IKFT has become task leader of the International Energy Agency (IEA) Bioenergy Task 34 ‚Direct Thermochemical Liquefaction (DTL)‘ starting from 01.01.2019. This task lead – together with the new lead of Task 40 – is the first within IEA Bioenergy ever to be in Germany. IEA Task 34 consists of representatives from research institutes and industry to foster a reasonable implementation of DTL technology. Market entry of fast pyrolysis bio-oil was already significantly supported by the task, e.g. by developing reproducible analytical methods that serve as basis for ASTM and EN standards. This important work will continue and extended to new product applications and processes. task34.ieabioenergy.com
21.02.2019On February 22, our former director Professor Dr. Eckhard Dinjus celebrates his 75th birthday. From 1996 to 2010, Professor Dinjus was head of the Institute of Technical Chemistry / Department of Chemical Physical Processes, combined with a professorship for Technical Chemistry at the University of Heidelberg, and since 2011 founding director of the IKFT. His work is mainly linked to the investigation of carbon dioxide as a chemical building block, the use of supercritical fluids for chemical-technical processes and the construction of the bioliq® pilot plant. Professor. Dinjus officially retired in 2012, but still committed himself to science and supervised doctoral theses until their completion. He has always remained closely associated with the Institute. The IKFT staff wishes Professor Dinjus all the best, health, happiness and personal prosperity on this day of honour.
25.10.2018The olefin cycle of the methanol-to-olefins (MTO) process was systematically investigated using density functional theory and highly accurate MP2 calculations for the zeolite H-SSZ-13. Olefins from ethylene up to C9 were studied and systematic trends for direct and step-wise olefin methylation and cracking reaction have been obtained. The most favorable cracking reactions are found to involve tertiary carbenium ions, in particular the t-butyl cation, leading to the formation of isobutene. [Catal. Sci. Technol., 2018, 8, 4420-4429]
19.03.2018Regarding new emission standards, crucial challenges emerge for diesel engines. Due to their soot-free combustion in internal combustion engines, oxymethylene dimethyl ethers (OMEs) are promising fuel additives. The Synthesis of OMEs from dimethyl ether is an important step for a holistic OME production and was recently demonstrated at IKFT. The research is founded by Fachagentur Nachwachsende Rohstoffe e.V. (FNR) and conducted in collaboration with TU Kaiserslautern and TU Munich.
#!doi.org/10.1016/j.catcom.2018.02.013##View article##
15.03.2018Research work from IKFT, and IMVT was highlighted in Chemical & Engineering News. By looking at a palladium catalyst while it converts hydrogen and oxygen to hydrogen peroxide, researchers have uncovered that α-palladium hydride nanoparticles were responsible for the selective hydrogenation of oxygen to hydrogen peroxide. “This is a very interesting study as it probes the nature of a palladium catalyst under operating conditions and clearly shows the potential role of various palladium hydrides in this challenging reaction,” says Graham J. Hutchings from Cardiff University.
 ACS Catal. 8, 3, 2546-2557
08.02.2018Researchers at the IKFT have looked at a process that has the potential to oxidize methane selectively to methanol.
With a focus on copper-exchanged zeolite materials they suggest that an ideal methane activation catalyst represents a trade-off between stability and reactivity of the active site that can be achieved by tuning the transition metal cation, active site motif and the zeolite topology. [Catal. Sci. Technol., 2018, 8, 114-123]
02.02.2018The project “Magnetic liquid crystalline hybrid materials: synthesis of anisotropic magnetic hybrid materials via organized integration of nanoparticles in liquid crystalline matrices” is funded by the German Science Foundation (DFG) during the third funding period of the priority program “Field controlled particle matrix interaction: synthesis, multi-scale modelling and application of magnetic hybrid materials” (SPP 1681). https://www.magnetofluiddynamik.de/spp1681/index.php/willkommen
17.11.2017The article Production of oxymethylene dimethyl ether (OME)-hydrocarbon fuel blends in a one-step synthesis/extraction procedure is now available online at #!authors.elsevier.com/c/1V-Dd3iH40KXD##ELSEVIER##.
27.10.2017A theoretical investigation of the initiation of the methanol-to-olefins (MTO) process identifies the formation of CO from methanol/DME and its further reaction in C-C coupling reactions as the most relevant of the studied mechanism. The full reaction mechanism from methanol to propylene is studied using DFT and additional corrections from ab initio calculations. The investigation also shows that a kinetic model of the autocatalytic reaction that follows initiation is essential to judge whether or not a mechanism is realistic. [Plessow, P. N.; Studt, F. ACS Catal. 2017]
19.09.2017Catalysis Science & Technology - Cover Article. Pt-based diesel oxidation catalysts were exposed to rapid transient temperature conditions based on a realistic driving cycle. A microreactor setup was used for rapid heating/cooling coupled to operando X-ray absorption spectroscopy and on-line mass spectrometry. Major differences in catalyst structure and performance were observed under transient conditions compared to model studies. Benzi, F.; Sheppard, T.L.; Doronkin, D.E.; Meira, D.M.; Gänzler, A.M.; Baier, S.; Grunwaldt, J.-D. Catal. Sci. Technol. 2017, 7, 3999-4006.
18.08.2017On 20. and 21. September 2017 a two day workshop dedicated to the inauguration of KIT´s new beamline for catalysis and actinide research (CAT-ACT) will take place in the ANKA seminar room (KIT Campus North, building 348, 1st floor, west entrance). CAT-ACT is jointly operated by the KIT institutes INE (for radionuclide science) and IKFT/ITCP (for catalysis research). The workshop will highlight research activities and access possibilities at CAT-ACT and particularly cover the following topics: Introduction to CAT-ACT and lab infrastructure, overview and highlight talks on XAS in Catalysis and Actinide research, involved KIT/HGF research programs, KIT in-house research activities and projects with cooperation partners, and future research perspectives. Preceding the workshop a two days training course providing an overview on XAFS methods, theory and data analysis will be offered. Registration deadline is 1 September 2017. Further information at http://www.ine.kit.edu/87_1254.php
07.08.2017The EU project ‘Brisk – Biofuels Research Infrastructure for Sharing Knowledge’ has returned for 2017. BRISK2 will fund researchers to carry out training research and this time IKFT participates by offering three pilot plant facilities: fast pyrolysis, hydrothermal liquefaction, and hydrodeoxygenation of bio-oil. Calls to apply for projects will open twice a year until 2021. More details are available here: http://www.brisk2.eu/
06.07.2017Cutting-edge synchrotron X-ray tomography was applied to image catalysts at work. The structure of a core@shell catalyst for direct synthesis of dimethyl ether (DME) was detailed in 3D, in situ and simultaneously by X-ray diffraction, fluorescence and absorption tomography; revealing important information about catalyst structure and function which is unavailable using conventional methods. Sheppard, T.L.; Price, S.W.T.; Benzi, F.; Baier, S.; Klumpp, M.; Dittmeyer, R.; Schwieger, W.; Grunwaldt, J.-D. J. Am. Chem. Soc. 2017, 139, 7855-7863.
30.06.2017The DFG establishes the priority program “Catalysts and Reactors under Dynamic Operation Conditions for Energy Storage and Conversion” (SPP 2080). Coordinator of the SPP 2080 is Prof. Dr. Jan-Dierk Grunwaldt. Project outlines can still be submitted until the 10th of September 2017, the deadline for full proposals is the 8th of January 2018. Links: call for proposals, homepage SPP2080
28.06.2017The „Wissenschaftliche Gesellschaft für Kraftfahrzeug- und Motorentechnik (WKM)“ has published a statement concerning the future of the internal combustion engine. 25 experts of the WKM, Prof. Gauterin and Prof. Koch from KIT among them, gave insides based on scientific facts on the measurement technologies for off-gas-composition of automobiles and the environmental impact of emissions of internal combustion engines.
22.06.2017The doctoral students of IKFT and IMVT were present with a joint stand at the annual summer festival of the Fachschaft MACH/CIW at Campus South. The selection of drinks (Gin Tonic and Cider) was well received by the guests and the staff and contributed to a completely successful evening.
21.06.2017Oxymethylene dimethyl ethers (OMEs) are investigated at IKFT as promising fuel additives that are accessible from renewable resources. A recent computational study from theory and model systems investigated the mechanism for the synthesis of OMEs from trioxane and dimethoxymethane. The results explain the observed experimental selectivity that initially favors OME4 and is eventually controlled thermodynamically. [Goncalves, T. J.; Arnold, U.; Plessow, P. N.; Studt, F. ACS Catalysis 2017, 7, 3615–3621.]
17.05.2017An Interview with Prof. Jörg Sauer was broadcasted as part of a program about Diesel fuels and oxymethylene dimethyl ethers on Deutschlandfunk.
17.05.2017Congratulations to Dorian Oestreich, who has passed his PhD exam on 04/07/2017. In his PhD thesis ‘Prozessentwicklung zur Gewinnung von Oxymethylenethern (OME) aus Methanol und Formaldehyd’ he has developed a new synthesis route for the production of fuels from renewable resources. His work is also documented in several publications and patents. Dissertation Dorian Oestreich.
17.05.2017The computational prediction of the rotational spectrum of the CaH+ molecular ion, taking into account coupling with the 1H nuclear spin and external magnetic fields, has contributed to the realization of ground-braking experiments at the National Institute of Standards and Technology (NIST). Single molecules have been prepared in pure quantum states and were subsequently manipulated. [Chou, C.-W.; Kurz, C.; Hume, D. B.; Plessow, P. N.; Leibrandt, D. R.; Leibfried, D. Nature 2017, 545, 203–207.]


22.07.201914:00 Lecture (B727 Kolloquiumsraum):
Dr. Thomas Jordan, KIT, IKET
“Safety Aspects of Hydrogen – from nuclear safety to coupling and de-carbonisation of the energy sectors”
08.07.20192 pm Lecture (B727 seminar room):
Chenyu Wang, IKFT (PhD student)
“Char and tar formation during supercritical water gasification of sewage sludge”
28.06.201910 am Lecture (B727 seminar room):
Dr. Kristian Melin, VTT, Finnland
“Production of polyol polycarbonate polymers without fossil feedstock“
07.05.201911 am Lecture (B727 seminar room):
Prof. Petra de Jongh, (University Utrecht, NL)
06.05.20192 pm Lecture (B727 seminar room):
Dr. Michael Wulkow, (CiT GmbH)
\"Parameter estimation and optimization for complex kinetics“
29.04.20192 pm Lecture (B727 seminar room):
Dr. Michael Klumpp , IKFT / IMVT
„Katalytisch aktive Schichten - Forschungsaktivitäten der Gruppe CCT“
08.04.20192 pm Lecture (B727 seminar room):
“Strömungsmechanische Modellierung eines Labor-Rohrreaktors zur Umsetzung von DME zu Benzin“
01.04.20192 pm Lecture (B727 Seminar Room):
Simon Wodarz, IKFT (PhD student)
"Understanding shaped hierarchical H-ZSM-5 catalysts for conversion of dimethyl ether to gasoline"
25.03.20192 pm Lecture (B727 Seminar Room):
Dr. Ursel Hornung, Bingfeng Guo, IKFT
“Hydrothermal Liquefaction (HTL) in IKFT and in detail the continuous HTL of microalgae and catalytic upgrading of biocrude“
11.03.20192 pm Lecture (B727 Seminar Room):
Stefan Wild, IKFT (PhD student)
“Catalyst investigations for the direct DME synthesis from variable CO/CO2 synthesis gas“
11.02.20192 pm Lecture (B727 Seminar Room):
Georgios Uzunidis, IKFT (PhD student)
“Synthese und Charakterisierung von nanoskaligen Materialien in ionischen Flüssigkeiten“
28.01.20192 pm Lecture (B727 Seminar Room):
Prof. Olaf Deutschmann, IKFT/ITCP
"Emissionsreduzierung lokaler und globaler Schadstoffe: Forschungsresultate der Gruppe in 2018"
21.01.20191 pm Lecture (B727 Seminar Room):
Prof. Gregor Wehinger, Institute of Chemical and Electrochemical Process Engineering, TU Clausthal
“Reactor modeling using particle-resolved CFD: pain or gain?“
10.12.20182 pm Lecture (B727 Seminar Room):
Prof. Jörg Sauer, IKFT
„Katalyse und Bioökonomie in der Energieforschung zu PoF-IV am IKFT“
03.12.20182 pm Lecture (B727 Seminar Room):
Prof. Nicolaus Dahmen, IKFT
"Netzwerke zu Energieträgern aus Biomasse und unser Beitrag dazu""
30.11.201811 am Lecture (B727 Seminar Room):
Ewelina Kaczówka, IKFT
"Process Analytics of Real Brines in Context of Geothermal Energy Utilisation"
26.11.201814:00 Lecture (B727 Kolloquiumsraum):
Maricruz Sanchez-Sanchez , Technical University Munich
"Heterogeneous catalysts for light hydrocarbon conversions: from fundamental understanding to industrial applications"
19.11.201814:00 Lecture (B727 Kolloquiumsraum):
Tomas Bucko, University of Bratislava
“On the origin of the difference between type A and type B skeletal isomerization of C7 alkenes: an ab initio MD study“
12.11.201814:00 Lecture (B727 Kolloquiumsraum):
Pablo Beato, Haldor Topsøe, DK
“A “new” universal descriptor for catalyst deactivation during methanol–to-hydrocarbons reaction“
05.11.201814:00 Lecture (B727 Kolloquiumsraum):
Yannick Ille, IKFT (PhD student)
Modelling of the Condensation of Fast Pyrolysis Vapours including Aerosol Formation
27.08.201814:00 Lecture (B727 Kolloquiumsraum):
Mara Scherrieb, IKFT/ITAS
Handhabung technologischer Unsicherheiten bei der Nachhaltigkeitsbewertung am Beispiel der Synthese von bio-basiertem, aromatenfreiem Benzin (MSc Thesis)
23.07.201814:00 Lecture (B727 Seminar Room):
Marc Serrer, IKFT (PhD student)
Investigation of Ni-based catalysts for the methanation of CO2 with synchrotron-based methods
16.07.201814:00 Lecture (B727 Seminar Room):
Oliver Schade, IKFT (PhD student)
Noble Metal Catalyzed Oxidation of 5-(Hydroxymethyl)furfural
09.07.201814:00 Lecture (B727 Seminar Room):
Clarissa Baehr, IKFT (PhD student)
Modification of pyrolysis oils by solvent additions
02.07.201814:00 Lecture (B727 Seminar Room 202):
Sheng Wang , IKFT (PhD student)
Synthesis of Novel Catalytic Materials for the Direct Synthesis of H2O2
25.06.2018 2 pm Lecture (B727 Kolloquiumsraum):
Michal Fecik, IKFT (PhD student)
A simple Scheme to Predict Transition State Energies of Dehydration Reactions in H-ZSM-5
11.06.201814:00 Lecture (B727 Kolloquiumsraum):
Katharina Stoll, IKFT (PhD student)
Untersuchungen zur Synthesegasfermentation bei erhöhtem Druck
04.06.201814:00 Lecture (B727 Kolloquiumsraum):
Yujie Fan, IKFT (PhD student)
The fate of nitrogen during hydrothermal liquefaction of sewage sludge
28.05.201814:00 Lecture (B727 Kolloquiumsraum):
Elisabeth Dietze, IKFT (PhD student)
Combined Simulation of Sintering through Particle Migration and Ripening
17.05.201815:00 Lecture (B727 Kolloquiumsraum):
Dr. Yuemin Wang, IFG
Surface reactions on model and nanostructured metal/oxide catalysts: bridging the materials gap
07.05.201814:00 Lecture (B727 Kolloquiumsraum):
Kristof De Wispelaere, Ghent University
Challenges in the methanol-to-olefins process from an operando theoretical perspective
23.04.201814:00 Lecture (B727 Kolloquiumsraum):
Martin Hähsler, IKFT
Stabile Suspensionen von magnetischen Nanopartikel in thermotropen Flüssigkristallen
09.04.201814:00 Lecture (B727 Kolloquiumsraum):
Sabrina Polierer, IKFT
Katalysatoren zur einstufigen DME-Synthese aus CO2/CO/H2
19.03.201814:00 Lecture (B727 Kolloquiumsraum):
Benjamin Niethammer, IKFT
Alternative Kraftstoffe für eine emissionsarme verbrennungsmotorische Mobilität
05.02.201814:00 Lecture (B727 Kolloquiumsraum):
Dominik Poncette, Institut für Technikfolgenabschätzung und Systemanalyse (ITAS), KIT
Entwicklungsbegleitende Ökobilanzierung von verfahrenstechnischen Prozessketten
22.01.201814:00 Lecture (B727 Kolloquiumsraum):
Maurice Kettner, Hochschule Karlsruhe Technik und Wirtschaft
Entflammungssysteme für hocheffiziente Verbrennungsmotoren: der Ottomotor ohne Zündkerze
15.01.201814:00h Lecture (B727 Kolloquiumsraum):
Binfeng Guo, Doktorand am IKFT
Hydrothermal liquefaction of raw and components-extracted microalgae with assist of pulsed electric field pretreatment
18.12.201713:00 Lecture (B727 Kolloquiumsraum):
Dipl.-Phys. Harald Vogel, Firma Petrolab
Was ist Benzin?
11.12.201714:00 Lecture (B727 Kolloquiumsraum):
Manuel Gentzen, IKFT
Multifunktionale nanopartikuläre Katalysatoren als Modellsysteme für die Synthesegaschemie​
27.11.201714:00h Lecture (B727 Kolloquiumsraum):
Matthias Betz, Doktorand am IKFT
Bio-Gerätebenzin für Kleinmotoren
20.11.201714:00 Lecture (B727 Kolloquiumsraum):
Christine Dietrich, IKFT
Synthese von Nanokatalysatoren in ionischen Flüssigkeiten - von Strukturen mit niedrigem Ordnungsgrad hin zu intermetallischen Verbindungen
13.11.201714:00 Lecture (B727 Kolloquiumsraum):
Viktoria Rohde, IKFT/Fraunhofer ICT
Optimierung eines Organosolv-Aufschlusses, Ligninfraktionierung und Generierung polyfunktioneller Intermediate
06.11.201714:00 Lecture (B727 Kolloquiumsraum):
Aayan Banerjee, IKFT
Elementary kinetics of O2 reduction on LSM-YSZ composite electrodes
23.10.201714:00 Lecture (B727 Kolloquiumsraum):
Dr Peter Schulz, Institut für Chemische Reaktionstechnik, Universität Erlangen-Nürnberg
Ionic Liquids - innovative functional material
09.10.201714:00 Lecture (B727 Kolloquiumsraum):
Dr Sebastian Kunz, Institute of Applied and Physical Chemistry (IAPC), Universität Bremen
Ligands on Nanoparticles – Combining the Benefits of Homo- and Heterogeneous Catalysis
21.08.201714:00, Lecture (B727 Kolloquiumsraum):
Philipp Haltenort, IKFT
From DME to OME: Reactive system studies on the synthesis of oxymethylene ethers
31.07.201714:00, Lecture (B727 Kolloquiumsraum):
Prof. Susan Karb, Federal University of Parana/Brazil
Recent projects with Bioeconomy approaches at the Federal University of Parana, Brazil
25.07.201714:00, Lecture (B727 Kolloquiumsraum):
Dr. Dorit Wolf und Dr. Stefan Wieland, Evonik
Chemical Catalysts by Evonik: Design and Applications
20.07.2017Prof. Dr. Felix Studt will give a lecture (Antrittsvorlesung) on the topic „Applying Computational Catalysis to Advance Renewable Energy Solutions“ at 17.30 in neuer Hörsaal Chemie, Engesserstrasse 15, G.30.46.
17.07.201714:00, Lekture (B727 Kolloquiumsraum):
Daniele Fabbri, Universita de Bologna
Disentangling the molecular complexity of crude and upgraded bio-oil
03.07.201714:00, Lekture (B727 Kolloquiumsraum):
Prof Ulrich Schurr, Forschungszentrum Jülich
„Sustainable Bioeconomy – Chances and Challenges“.
Prof. Schurr is an internationally renowned expert in Bioeconomy and Plant Sciences, he is the scientific Coordinator of the “Cross-Programme Initiative: Sustainable Bioeconomy”