% Encoding: UTF-8
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@article{faucris.294587358,
abstract = {Energy storage via liquid organic hydrogen carrier (LOHC) systems has gained significant attention in recent times. A dibenzyltoluene (DBT) based LOHC offers excellent properties which largely solve today's hydrogen storage challenges. Understanding the course of the dehydrogenation reaction is important for catalyst and process optimization. Therefore, reliable and exact methods to determine the degree of hydrogenation (doh) are important. We here present other possible techniques, namely: comprehensive two-dimensional gas chromatography coupled with time of flight mass spectrometry (2D-GC-TOF-MS) and single quadrupole-mass spectrometry gas chromatogram system (GC-SQ-MS). The 2D-GC-TOF-MS results indicate that isomer fractions lose three molecules of hydrogen, as follows: H18-DBT, H12-DBT, H6-DBT and H0-DBT, and the doh decreases with an increase in dehydrogenation temperature. 1H NMR and GC-SQ-MS were employed as additional analytical techniques. The GC-SQ-MS was also used to analyse decomposition products that result from thermal cracking of reaction mixture molecules.},
author = {Modisha, Phillimon M. and Jordaan, Johan H. L. and Bösmann, Andreas and Wasserscheid, Peter and Bessarabov, Dmitri},
doi = {10.1016/j.ijhydene.2018.02.005},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Dehydrogenation; Dibenzyltoluene; Hydrogen storage; Liquid organic hydrogen carrier (LOHC); Time-of-flight mass spectrometry; Two-dimensional gas chromatography},
note = {CRIS-Team Scopus Importer:2023-03-29},
pages = {5620-5636},
peerreviewed = {Yes},
title = {{Analysis} of reaction mixtures of perhydro-dibenzyltoluene using two-dimensional gas chromatography and single quadrupole gas chromatography},
volume = {43},
year = {2018}
}
@article{faucris.238260025,
abstract = {In this contribution we propose mixtures of the two LOHC systems benzyltoluene (H0-BT)/perhydro benzyltoluene (H12-BT) and dibenzyltoluene (H0-DBT)/perhydro dibenzyltoluene (H18-DBT) as promising hydrogen storage media for technical applications at temperatures below ambient. The mixing of the two LOHC systems provides the advantage of a reduced viscosity of the hydrogen-rich system, for example a 20 wt% addition of H12-BT to H18-DBT reduces the viscosity at 10 °C by 80%. Interestingly, it is also found that the dehydrogenation of such mixture provides a hydrogen release productivity that is 12–16% higher compared to pure H18-DBT dehydrogenation under otherwise identical conditions. This enhanced rate is attributed to a combination of reduced hydrogen partial pressure in the reactor (due to the higher H12-BT vapor pressure), preferred H12-BT dehydrogenation (due to faster H12-BT diffusion) and effective transfer hydrogenation between the two LOHC systems.},
author = {Jorschick, Holger and Geißelbrecht, Michael and Eßl, Melanie and Preuster, Patrick and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1016/j.ijhydene.2020.03.210},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Benzyltoluene; Dehydrogenation; Dibenzyltoluene; Hydrogen storage; Hydrogenation; LOHC systems},
note = {CRIS-Team Scopus Importer:2020-05-12},
peerreviewed = {Yes},
title = {{Benzyltoluene}/dibenzyltoluene-based mixtures as suitable liquid organic hydrogen carrier systems for low temperature applications},
year = {2020}
}
@article{faucris.222403801,
abstract = {Liquid organic hydrogen carrier (LOHC) systems are a promising alternative for energy storage and transport. The development of an active and selective LOHC-dehydrogenation catalyst is therefore of great importance. In this study we present a modification procedure of Pt/Al2O3 catalysts with a sulfur containing compound that results in improved activity as well as in reduced side product formation. Here, it appears that the right amount of applied sulfur species is crucial to reach the described effects. The optimum value depends on the support surface area and the molar ratio of sulfur to surface platinum. Mechanistic studies of the sulfur modification by infrared spectroscopy (DRIFTS) with adsorbed CO revealed that preferentially low coordinated defect sites (edges or corner/apex Pt atoms) are blocked by sulfur compounds and that these are the ones responsible for side reactions. The sulfur species were found to modify the electronic properties of Pt and this facilitates the desorption of the aromatic dehydrogenation products.},
author = {Auer, Franziska and Blaumeiser, Dominik and Bauer, Tanja and Bösmann, Andreas and Szesni, Normen and Libuda, Jörg and Wasserscheid, Peter},
doi = {10.1039/c9cy00817a},
faupublication = {yes},
journal = {Catalysis: Science and Technology},
note = {CRIS-Team Scopus Importer:2019-07-16},
pages = {3537-3547},
peerreviewed = {Yes},
title = {{Boosting} the activity of hydrogen release from liquid organic hydrogen carrier systems by sulfur-additives to {Pt} on alumina catalysts},
volume = {9},
year = {2019}
}
@article{faucris.204164941,
abstract = {An integration of CO2-free hydrogen generation through methane decomposition coupled with hydrogen/methane separation and chemical hydrogen storage through liquid organic hydrogen carrier (LOHC) systems is demonstrated. A potential, very interesting application is the upgrading of stranded gas, for example, gas from a remote gas field or associated gas from off-shore oil drilling. Stranded gas can be effectively converted in a catalytic process by methane decomposition into solid carbon and a hydrogen/methane mixture that can be directly fed to a hydrogenation unit to load a LOHC with hydrogen. This allows for a straight-forward separation of hydrogen from CH4 and conversion of hydrogen to a hydrogen-rich LOHC material. Both, the hydrogen-rich LOHC material and the generated carbon on metal can easily be transported to destinations of further industrial use by established transport systems, like ships or trucks.},
author = {Dürr, Stefan and Müller, Michael and Jorschick, Holger and Helmin, Marta and Bösmann, Andreas and Palkovits, Regina and Wasserscheid, Peter},
doi = {10.1002/cssc.201600435},
faupublication = {yes},
journal = {Chemsuschem},
keywords = {hydrogen storage;hydrogenation;liquid organic hydrogen carriers;methane decomposition;upgrading},
month = {Jan},
pages = {42-47},
peerreviewed = {Yes},
title = {{Carbon} {Dioxide}-{Free} {Hydrogen} {Production} with {Integrated} {Hydrogen} {Separation} and {Storage}},
volume = {10},
year = {2017}
}
@misc{faucris.113105564,
abstract = {A catalyst system for steam reforming of methanol includes a porous catalyst support at the surface of which catalytically active centers are arranged, as well as a salt melt contg. inorg. cations and org. anions which covers at least a part of the surface and the catalytically active centers. The catalyst support can be carbon, titania, alumina, silica, and/or zirconia. The catalytically active centers can consist of Pt, Pd, Ru, Rh, Ir, Cu, and/or Zn. The salt melt can contain Li+, Na+, K+, Cs+, Mg2+, Ca2+, Ba2+, Al3+, Sc3+, and La3+ as cations. The anions of the salt melt can be ions of the general formula R1-COO-, R2-SO3-, R3-O-SO3-, R4-PO4-R5-, and (R6-SO2-)2N- with R1, R2, R3, R4, R5, and R6 being the same or different aliph., alicyclic, or arom. C1-30 hydrocarbon rests the H atoms of which may be substituted by F atoms, hydroxy groups, or carboxylate groups. [on SciFinder(R)]},
author = {Bösmann, Andreas and Enzenberger, Florian and Maaß, Hans-Jürgen and Wasserscheid, Peter},
faupublication = {yes},
keywords = {catalyst system steam reforming methanol salt melt porous support},
peerreviewed = {automatic},
title = {{Catalyst} system for steam reforming of methanol.},
year = {2012}
}
@article{faucris.107178544,
abstract = {A catalytic reaction system for the production of hydrogen from sugars and even water-insoluble biomass like cellulose is presented. The reaction system is based on an ionic liquid that has the role to dissolve the carbohydrate feedstock and a ruthenium catalyst. As hydrogen dissolves in this media at very low level, hydrogen consuming side reactions have been hindered, leading to a gaseous product mixture consisting mainly of hydrogen and carbon dioxide. Investigations with isotopic labelling suggest a reaction sequence in which glucose first thermally decomposes to formic acid followed by Ru-catalyzed decomposition of the latter to hydrogen and CO${\_}2$.},
author = {Taccardi, Nicola and Assenbaum, Daniel and Berger, Markus and Bösmann, Andreas and Enzenberger, Florian and Woelfel, Rene and Neuendorf, Stephanie and Göke, Volker and Schödel, Nicole and Maaß, Hans-Jürgen and Kistenmacher, Hans and Wasserscheid, Peter},
doi = {10.1039/c002910f},
faupublication = {yes},
journal = {Green Chemistry},
pages = {1150},
peerreviewed = {Yes},
title = {{Catalytic} production of hydrogen from glucose and other carbohydrates under exceptionally mild reaction conditions},
volume = {12},
year = {2010}
}
@article{faucris.294586854,
abstract = {Liquid Organic Hydrogen Carrier (LOHC) systems have attracted growing attention in recent years as efficient way to store and transport hydrogen in the existing infrastructures for liquid fuels. This contribution highlights the additional feature that hydrogenation of the LOHC compound dibenzyltoluene with technical relevant H2/CO2 gas mixtures (up to 30 % CO2) gives access to hydrogen purification and hydrogen storage in one single process step. Alumina supported Rh and Pd catalysts proved to be especially suitable for this task. The rhodium catalysts enabled efficient aromatics hydrogenation in the temperature range of 120 °C to 150 °C with moderate methane formation (CH4/CO2<0.1 at 150 °C). The palladium catalyst showed the lowest selectivity to methane formation (CH4/CO2<0.1 at 270 °C) and promising hydrogenation activity at temperatures above 200 °C even in the presence of CO and CO2.},
author = {Jorschick, Holger and Bösmann, Andreas and Preuster, Patrick and Wasserscheid, Peter},
doi = {10.1002/cctc.201800960},
faupublication = {yes},
journal = {ChemCatChem},
keywords = {carbon dioxide; gas solubility; hydrogen separation; Hydrogen storage; hydrogenation},
note = {CRIS-Team Scopus Importer:2023-03-29},
pages = {4329-4337},
peerreviewed = {Yes},
title = {{Charging} a {Liquid} {Organic} {Hydrogen} {Carrier} {System} with {H2}/{CO2} {Gas} {Mixtures}},
volume = {10},
year = {2018}
}
@article{faucris.213485245,
abstract = {In this contribution we explore the combination of hydrogen production via electrolysis with subsequent storage of the hydrogen via catalytic hydrogenation of the LOHC compound dibenzyltoluene (H0-DBT) without hydrogen drying. The objective is to investigate the influence of water on the performance of Pt, Pd, Rh, and Ru (all alumina-supported) catalysts in the hydrogenation of H0-DBT. Our study shows that H0-DBT can be readily and fully hydrogenated even in the presence of a large excess of water, i.e., through the use of a water-saturated LOHC-phase. The hydrogenation activity of the ruthenium catalyst is hardly affected by water, while a slight decrease in hydrogenation activity was found in the presence of water for the applied Rh, Pt, and Pd catalyst. We conclude that wet hydrogen may be utilized in charging the LOHC compound H0-DBT, and thus, energy and drying equipment for producing dry hydrogen can be saved in the production of the hydrogen-rich carrier perhydro dibenzyltoluene (H18-DBT).},
author = {Jorschick, Holger and Bulgarin, Alexander and Alletsee, Lukas and Preuster, Patrick and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1021/acssuschemeng.8b05778},
faupublication = {yes},
journal = {ACS Sustainable Chemistry & Engineering},
note = {CRIS-Team WoS Importer:2019-03-15},
pages = {4186-4194},
peerreviewed = {Yes},
title = {{Charging} a {Liquid} {Organic} {Hydrogen} {Carrier} with {Wet} {Hydrogen} from {Electrolysis}},
volume = {7},
year = {2019}
}
@article{faucris.123633664,
abstract = {Liquid Organic Hydrogen Carrier (LOHC) systems offer a very attractive way for storing and distributing hydrogen from electrolysis using excess energies from solar or wind power plants. In this contribution, an alternative, high-value utilization of such hydrogen is proposed namely its use in steady-state chemical hydrogenation processes. We here demonstrate that the hydrogen-rich form of the LOHC system dibenzyltoluene/perhydro-dibenzyltoluene can be directly applied as sole source of hydrogen in the hydrogenation of toluene, a model reaction for large-scale technical hydrogenations. Equilibrium experiments using perhydro-dibenzyltoluene and toluene in a ratio of 1:3 (thus in a stoichiometric ratio with respect to H) yield conversions above 60%, corresponding to an equilibrium constant significantly higher than 1 under the applied conditions (270 °C).},
author = {Geburtig, Denise and Preuster, Patrick and Bösmann, Andreas and Müller, Karsten and Wasserscheid, Peter},
doi = {10.1016/j.ijhydene.2015.10.013},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Dehydrogenation; Dibenzyltoluene; Hydrogen storage; Hydrogenation; Liquid Organic Hydrogen Carrier; Transfer hydrogenation},
pages = {1010-1017},
peerreviewed = {Yes},
title = {{Chemical} utilization of hydrogen from fluctuating energy sources - {Catalytic} transfer hydrogenation from charged {Liquid} {Organic} {Hydrogen} {Carrier} systems},
volume = {41},
year = {2016}
}
@article{faucris.107156544,
abstract = {The paper describes our studies on ion pair interactions in ionic liquids (IL) using an asymmetric hydrogenation reaction as probe. Three different ionic liquids carrying prochiral keto-functionalized cations were hydrogenated in the presence of their chiral, enantiomerically pure counter-ion using an achiral heterogeneous ruthenium catalyst. For the hydrogenation of N-(3$\prime$-oxobutyl)-N-methylimidazolium camphorsulfonate (2), N-(3$\prime$-oxobutyl)imidazolium camphorsulfonate (4) and N-(5$\prime$-oxohexyl)-N-methylimidazolium camphorsulfonate (6) we found a strong dependency of the enantiomeric excess (ee in the cation) on the polarity of the solvent, the concentration of the IL and the structure of the IL. The highest ee values of up to 94{\%} were found for the hydrogenation of 2 in ethanol. Interestingly, we observed that the ee (and consequently the strength of ion pair interaction) had a pronounced maximum for a certain concentration of the IL in the solvent depending on the nature of the solvent and on the substrate. Remarkably, the concentration leading to the maximum ee could be rationalized by independent determination of the degree of dissociation which was obtained by a combination of diffusion-ordered NMR spectroscopy and conductivity measurements.},
author = {Schneiders, Karola and Bösmann, Andreas and Schulz, Peter and Wasserscheid, Peter},
doi = {10.1002/adsc.200800569},
faupublication = {yes},
journal = {dvanced Synthesis & Catalysis},
pages = {432--440},
peerreviewed = {Yes},
title = {{Chirality} {Transfer} in {Imidazolium} {Camphorsulfonate} {Ionic} {Liquids} through {Ion} {Pairing} {Effects}},
volume = {351},
year = {2009}
}
@article{faucris.108293504,
abstract = {An efficient route to prepare ionic liquids with chloroalkylsulfonate anions is presented; the synthesis proceeds in a one-step ring-opening reaction of sultones with an organic chloride salt and provides a very attractive access to new anion functionalised ionic liquids. © The Royal Society of Chemistry.},
author = {Paape, Natalia and Wei, Wei and Bösmann, Andreas and Kolbeck, Claudia and Maier, Florian and Steinrück, Hans-Peter and Wasserscheid, Peter and Schulz, Peter},
doi = {10.1039/b805444d},
faupublication = {yes},
journal = {Chemical Communications},
pages = {3867-3869},
peerreviewed = {Yes},
title = {{Chloroalkylsulfonate} ionic liquids by ring opening of sultones with organic chloride salts},
year = {2008}
}
@article{faucris.123422464,
abstract = {A high viscosity index (VI) is crucial for lubricants in industrial gearboxes exposed to changing load or weather conditions. Especially in the field of wind turbine oil, viscosity indices of 150 or higher are demanded to reduce power losses and ensure reliability at the same time. In this context, the use of dissolved CO2 to improve viscositytemperature behavior has been investigated for task-specific, halogen-free ionic liquids and benchmarked against poly(alpha-olefins). By measuring the viscosity and density of the lubricants with dissolved CO2, it was proven that the VI can be increased significantly, even at moderate pressures. In addition, measurements and simulation on CO2 solubility and studies on corrosion and tribology under CO2 pressure are presented.},
author = {Pohrer, Benjamin and Zürcher, Manuel and Westerholt, Antje and Bösmann, Andreas and Siebert, Daniel and Völkl, Johannes and Holweger, Walter and Wehrum, Natalie and Arlt, Wolfgang and Wasserscheid, Peter and Schlücker, Eberhard},
doi = {10.1021/acs.iecr.5b00494},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
pages = {5810-5819},
peerreviewed = {Yes},
title = {{CO2} as a {Viscosity} {Index} {Improver} for {Wind} {Turbine} {Oils}},
volume = {54},
year = {2015}
}
@article{faucris.252995096,
abstract = {Liquid organic hydrogen carrier (LOHC) systems represent a promising storage option for hydrogen produced from renewable electricity by water electrolysis. Regarding the efficiency of the endothermal hydrogen release reaction, this technology greatly benefits from a direct heat integration with the waste heat of the energetic use of the released hydrogen, e. g. in a fuel cell. To enable such beneficial set-up, the reaction temperature of hydrogen release must be below the operation temperature of the applied fuel cell which calls for both low temperature dehydrogenation catalysis and high temperature fuel cell operation. This paper demonstrates that such combination may be suitable if reduced pressure dehydrogenation of perhydro-N-ethylcarbazole (H12-NEC) is combined with hydrogen electrification in a high temperature polymer electrolyte membrane fuel cell (HT-PEMFC). Dehydrogenation reactions of H12-NEC were carried out between 160 °C and 200 °C applying different hydrogen partial pressures in the dehydrogenation unit to mimic the effect of a sucking fuel cell operation mode, i.e. the reduction of hydrogen partial pressure in the dehydrogenation unit caused by the fuel cell operation. Our kinetic analysis reveals that a dehydrogenation temperature of 180 °C combined with 500 mbar hydrogen partial pressure represent, for example, a suitable parameter set for efficient hydrogen release.},
author = {Kiermaier, Stephan and Lehmann, Daniel and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1016/j.ijhydene.2021.02.128},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Dehydrogenation; Fuel cell; Hydrogen partial pressure; LOHC; N-ethylcarbazole},
note = {CRIS-Team Scopus Importer:2021-03-26},
peerreviewed = {Yes},
title = {{Dehydrogenation} of perhydro-{N}-ethylcarbazole under reduced total pressure},
year = {2021}
}
@article{faucris.228154987,
abstract = {Among other N-heterocycles, indole and its substituted derivatives, such as methylindoles, are considered promising Liquid Organic Hydrogen Carriers (LOHCs) for the storage of renewable energy. We used X-ray photoelectron spectroscopy (XPS), temperature programmed desorption (TPD), and density-functional theory (DFT) to investigate the low temperature adsorption and consecutive dehydrogenation reaction during heating of 2-methylindole, 2-methylindoline, and 2-methyloctahydroindole on Pt(111) and their viability as the LOHC system. In the photoemission experiments, for all Hx-2-methylindoles, we find deprotonation at the NH bond starting between 240 and 300 K, resulting in a 2-methylindolide species. Simultaneously or before this reaction step, the dehydrogenation of 2-methyloctahydroindole via 2-methylindoline and 2-methylindole intermediates is observed. For 2-methyloctahydroindole, we also find π-allyl intermediates above 230 K. Starting at ∼390 K, decomposition of the remaining 2-methylindolide species takes place under the conditions of our surface science experiments. DFT calculations give insight into the relative energies of the various species, reaction intermediates, and their isomers both in the gas phase and on the Pt(111) surface.},
author = {Bachmann, Philipp and Steinhauer, Johann and Späth, Florian and Düll, Fabian and Bauer, Udo and Eschenbacher, Roman and Hemauer, Felix and Scheuermeyer, Marlene and Bösmann, Andreas and Büttner, Miriam and Neiß, Christian and Görling, Andreas and Wasserscheid, Peter and Steinrück, Hans-Peter and Papp, Christian},
doi = {10.1063/1.5112835},
faupublication = {yes},
journal = {Journal of Chemical Physics},
note = {CRIS-Team Scopus Importer:2019-10-22},
pages = {144711-},
peerreviewed = {Yes},
title = {{Dehydrogenation} of the liquid organic hydrogen carrier system 2-methylindole/2-methylindoline/2-methyloctahydroindole on {Pt}(111)},
volume = {151},
year = {2019}
}
@article{faucris.121989164,
abstract = {The conversion of biogenic carbohydrate feedstock to chemicals or energy equivalents is a promising approach to solve the problem of limited fossil fuel reserves. Some concepts to accomplish these transformations are based on ionic liquids (ILs) due to their ability to dissolve biopolymers, such as cellulose, and even complex biopolymer mixtures, such as wood. However, concerning control of such conversions, a reliable tool for process analytics is required. In this paper we demonstrate the applicability of Fourier transform infrared (FT-IR) spectroscopy to perform quantitative concentration measurements of glucose and cellobiose as two examples of carbohydrates dissolved in the room-temperature ionic liquid [EMIM][OAc] (1-ethyl-3-methylimidazolium acetate). For this purpose, binary mixtures in the range 0-20 wt% have been studied. A previously developed method for the data analysis, which was based on the Beer-Lambert relation, has been universalized by employing empirical correlations between the measured quantity (i.e., extinction) and the carbohydrate concentration. In the entire spectral range under investigation (500-4000 cm(-1)) numerous individual wave-numbers have been identified, allowing quantitative measurements with high accuracy and precision.},
author = {Kiefer, Johannes and Obert, Katharina and Fries, Jürgen and Bösmann, Andreas and Wasserscheid, Peter and Leipertz, Alfred},
faupublication = {yes},
journal = {Applied Spectroscopy},
keywords = {Carbohydrates;Ionic liquid;Glucose;Cellobiose;Infrared spectroscopy;IR spectroscopy;Fourier transform infrared spectroscopy;FT-IR spectroscopy;Quantitative measurements},
pages = {1041-1049},
peerreviewed = {Yes},
title = {{Determination} of {Glucose} and {Cellobiose} {Dissolved} in the {Ionic} {Liquid} 1-{Ethyl}-3-{Methylimidazolium} {Acetate} {Using} {Fourier} {Transform} {Infrared} {Spectroscopy}},
volume = {63},
year = {2009}
}
@article{faucris.109118944,
author = {Fikrt, André and Brehmer, Richard and Milella, Vito-Oronzo and Müller, Karsten and Bösmann, Andreas and Preuster, Patrick and Alt, Nicolas and Schlücker, Eberhard and Wasserscheid, Peter and Arlt, Wolfgang},
doi = {10.1002/201600388},
faupublication = {yes},
journal = {Applied Energy},
peerreviewed = {Yes},
title = {{Dynamic} power supply by hydrogen bound to a liquid organic hydrogen carrier},
year = {2017}
}
@article{faucris.110387464,
abstract = {Since every reaction at a prochiral ion must take place in close proximity to its counterion, it should be possible to transfer chiral information between the ions of an ionic liq. Indeed, the hydrogenation of a prochiral, keto-functionalized cation was found to proceed in the presence of (R)-camphorsulfonate in up to 80% ee. [on SciFinder(R)]},
author = {Schulz, Peter and Bösmann, Andreas and Wasserscheid, Peter and et al.},
author_hint = {Schulz PS, Mueller N, Boesmann A, Wasserscheid P},
doi = {10.1002/anie.200604406},
faupublication = {yes},
journal = {Angewandte Chemie International Edition},
keywords = {chirality transfer ionic liq ion pairing},
pages = {1293-1295},
peerreviewed = {Yes},
support_note = {Author relations incomplete. You may find additional data in field 'author{\_}hint'},
title = {{Effective} chirality transfer in ionic liquids through ion-pairing effects.},
volume = {46},
year = {2007}
}
@article{faucris.269595554,
abstract = {For the efficient design of hydrogenation and dehydrogenation processes, a comprehensive database for the viscosity, surface tension, and density of mixtures of the diphenylmethane-based liquid organic hydrogen carrier system and the pure intermediate cyclohexylphenylmethane measured by complementary optical and conventional methods and calculated by molecular dynamics simulations at process-relevant temperatures up to 623 K is presented. The simulations employ self-developed force fields including a new one for cyclohexylphenylmethane and reveal surface enrichment and orientation effects influencing the surface tension. Relatively simple correlation and prediction approaches yield accurate representations as function of temperature and degree of hydrogenation (DoH) of the mixtures with average absolute relative deviations (AARD) of 0.07% for the density and 2.9% for the surface tension. Application of the extended hard sphere theory considering the presented accurate density data allows capturing the highly nonlinear DoH-dependent behavior of the dynamic viscosity with an AARD of 2.9%. (c) 2021 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.},
author = {Schmidt, Patrick and Kerscher, Manuel and Klein, Tobias and Jander, Julius Hans and Bioucas, Francisco and Rüde, Timo and Li, Shao and Stadelmaier, Monika and Hanyon, Samantha and Fathalla, Ramy and Bösmann, Andreas and Preuster, Patrick and Wasserscheid, Peter and Koller, Thomas Manfred and Rausch, Michael Heinrich and Fröba, Andreas Paul},
doi = {10.1016/j.ijhydene.2021.11.198},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Density;Experiment;LOHC mixtures;Modeling;Surface tension;Viscosity},
month = {Jan},
pages = {6111-6130},
peerreviewed = {Yes},
title = {{Effect} of the degree of hydrogenation on the viscosity, surface tension, and density of the liquid organic hydrogen carrier system based on diphenylmethane},
volume = {47},
year = {2022}
}
@article{faucris.113091044,
abstract = {A particularly suitable reactor concept for the continuous dehydrogenation of perhydro-N-ethylcarbazole in the context of hydrogen and energy storage applications is described. The concept addresses the fact that dehydrogenation is a highly endothermic gas evolution reaction. Thus, for efficient dehydrogenation a significant amount of reaction heat has to be provided to a reactor that is essentially full of gas. This particular challenge is addressed in our study by the use of a catalyst-coated (Pt on alumina), structured metal reactor obtained by selective electron beam melting. The so-obtained reactor was tested both as a single tube set-up and as a Hydrogen Release Unit (HRU) with ten parallel reactors. In stationary operation, the HRU realized a hydrogen release capacity of 1.75 kW(therm) (960 W-el in a subsequent fuel cell) with up to 1.12 g(H2) min(-1) g(Pt)(-1) and a power density of 4.32 kW(el) L-1 of HRU reactor.},
author = {Peters, Willi and Eypasch, Martin and Frank, T. and Schwerdtfeger, Jan and Körner, Carolin and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1039/c4ee03461a},
faupublication = {yes},
journal = {Energy and Environmental Science},
month = {Jan},
pages = {641-649},
peerreviewed = {Yes},
title = {{Efficient} hydrogen release from perhydro-{N}-ethylcarbazole using catalyst-coated metallic structures produced by selective electron beam melting},
volume = {8},
year = {2015}
}
@article{faucris.106898924,
abstract = {Our contribution demonstrates that the combination of additive manufacturing and electrophoretic deposition offers great potential for the future manufacturing of tailor-made catalytic structures for continuous flow applications. A new protocol for the controlled and homogeneous coating of both electrodes of interpenetrating porous open cell structures (interPOCS) with layers of boehmite is presented. Moreover, it has been found that by applying different coating voltages in an electrophoretic deposition (EPD) process, the properties of the obtained coating can be fine-tuned with respect to layer thickness, density, and porosity. This offers very interesting options for optimizing the catalysis-relevant properties from two sides by the use of the special interPOCS support design and by adjusting the coating through the parameters of the EPD coating process.},
author = {Do, Giang and Stiegler, Thomas and Fiegl, Markus and Adler, Lucas and Körner, Carolin and Bösmann, Andreas and Freund, Hannsjörg Dieter and Schwieger, Wilhelm and Wasserscheid, Peter},
doi = {10.1021/acs.iecr.7b02453},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
pages = {13403-13411},
peerreviewed = {Yes},
title = {{Electrophoretic} {Deposition} of {Boehmite} on {Additively} {Manufactured}, {Interpenetrating} {Periodic} {Open} {Cellular} {Structures} for {Catalytic} {Applications}},
volume = {56},
year = {2017}
}
@article{faucris.121984104,
abstract = {Pt on alumina catalysts can be used for converting methanol and water into hydrogen and carbon dioxide, for applications such as hydrogen storage. Both the activity and selectivity could be enhanced by coating these materials with a thin layer of a molten salt mixture of Li/K/Cs acetate. Potassium doping was indentified by DRIFTS measurements to be an important factor for the boost in catalyst performance.},
author = {Kusche, Matthias Manfred and Enzenberger, Florian and Bajus, Stephanie and Niedermeyer, Heiko Jannes and Bösmann, Andreas and Kaftan, Andre and Laurin, Mathias and Libuda, Jörg and Wasserscheid, Peter},
doi = {10.1002/anie.201209758},
faupublication = {yes},
journal = {Angewandte Chemie International Edition},
pages = {5028--5032},
peerreviewed = {Yes},
title = {{Enhanced} {Activity} and {Selectivity} in {Catalytic} {Methanol} {Steam} {Reforming} by {Basic} {Alkali} {Metal} {Salt} {Coatings}},
volume = {52},
year = {2013}
}
@article{faucris.110394944,
abstract = {Thermal retro-Michael decompn. of task specific ionic liqs. (TSILs) was efficiently suppressed by hydrogenation of the oxobutyl side chain yielding a hydroxy-functionalized TSIL. [on SciFinder(R)]},
author = {Schulz, Peter and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1007/s00706-007-0730-2},
faupublication = {yes},
journal = {Monatshefte für Chemie},
keywords = {task specific ionic liq thermal decompn suppression hydrogenation},
pages = {1159-1161},
peerreviewed = {Yes},
title = {{Enhancing} task specific ionic liquids' thermal stability by structural modification.},
volume = {138},
year = {2007}
}
@article{faucris.259307176,
abstract = {Formic acid decomposition (FAD) generates H-2 at low temperatures. However, many known catalyst systems suffer from deactivation due to competing side reactions during FAD. In this work, we focus on the origins of the deactivation of Pd catalysts but also on protocols which allow for reactivation of this precious metal catalyst. We combined batch experiments with results from in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). We find that CO adsorbates block catalytic sites and deactivate the Pd catalyst. Oxidative treatment lifts this inhibition. Additionally, our results show that oxidative pretreatment activates the Pd catalyst, whereas reduction leads to a catalyst which is essentially inactive for FAD.},
author = {Kosider, Axel and Blaumeiser, Dominik and Schötz, Simon and Preuster, Patrick and Bösmann, Andreas and Wasserscheid, Peter and Libuda, Jörg and Bauer, Tanja},
doi = {10.1039/d1cy00300c},
faupublication = {yes},
journal = {Catalysis: Science and Technology},
note = {CRIS-Team WoS Importer:2021-05-28},
peerreviewed = {Yes},
title = {{Enhancing} the feasibility of {Pd}/{C}-catalyzed formic acid decomposition for hydrogen generation - catalyst pretreatment, deactivation, and regeneration},
year = {2021}
}
@article{faucris.113092364,
abstract = {Liquid Organic Hydrogen Carrier (LOHC) systems offer a very attractive way to store and transport hydrogen, a technical feature that is highly desirable to link unsteady energy production from renewables with the vision of a sustainable, CO2-free, hydrogen-based energy system. LOHCs can be charged and discharged with considerable amounts of hydrogen in cyclic, catalytic hydrogenation and dehydrogenation processes. As their physico-chemical properties are very similar to diesel, today's infrastructure for liquid fuels can be used for their handling thus greatly facilitating the step-wise transition from today's fossil system to a CO2 emission free energy supply for both, stationary and mobile applications. However, for a broader application of these liquids it is mandatory to study in addition to their technical performance also their potential impact on the environment and human health. This paper presents the first account on the toxicological profile of some potential LOHC structures. Moreover, it documents the importance of an early integration of hazard assessment in technology development and reveals for the specific case of LOHC structures the need for additional research in order to overcome some challenges in the hazard assessment for these liquids.},
author = {Markiewicz, M. and Zhang, Y. Q. and Bösmann, Andreas and Brückner, Nicole and Thöming, J. and Wasserscheid, Peter and Stolte, S.},
doi = {10.1039/c4ee03528c},
faupublication = {yes},
journal = {Energy and Environmental Science},
month = {Jan},
pages = {1035-1045},
peerreviewed = {Yes},
title = {{Environmental} and health impact assessment of {Liquid} {Organic} {Hydrogen} {Carrier} ({LOHC}) systems - challenges and preliminary results},
volume = {8},
year = {2015}
}
@inproceedings{faucris.118200984,
author = {Preuster, Patrick and Wagner, Lisa and Nuß, Andreas and Geiling, Johannes and Steinberger, Michael and Bösmann, Andreas and Wasserscheid, Peter},
booktitle = {21st World Hydrogen Energy Conference 2016, WHEC 2016},
date = {2016-06-13/2016-06-16},
faupublication = {yes},
pages = {722-723},
peerreviewed = {Yes},
publisher = {Spanish Hydrogen Association - Asociacion Espanola del Hidrogeno, AEH2},
title = {{Evaluation} of a novel reactor concept for the process intensification and intelligent heat management in the hydrogenation and dehydrogenation of {Liquid} {Organic} {Hydrogen} {Carriers}},
url = {https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85016937508&origin=inward},
venue = {Saragossa},
year = {2016}
}
@article{faucris.118702364,
abstract = {Liquid organic hydrogen carrier (LOHC) systems offer a very attractive method for the decentralized storage of renewable excess energy. In this contribution, industrially well-established heat-transfer oils (typically sold under trade names, e.g., Marlotherm) are proposed as a new class of LOHC systems. It is demonstrated that the liquid mixture of isomeric dibenzyltoluenes (m.p. -39° to -34°C, b.p. 390°C) can be readily hydrogenated to the corresponding mixture of perhydrogenated angenated to the corresponding mixture of perhydrogenated an-alogues by binding 6.2 wt{\%} of H2. The liquid H2 -rich form can be stored and transported similarly to diesel fuel. It readily undergoes catalytic dehydrogenation at temperatures above 260°C, which proves its applicability as a reversible H2 carrier. The presented LOHC systems are further characterized by their excellent technical availability at comparably low prices, full registration of the H2-lean forms, and excellent thermal stabilities.},
author = {Brückner, Nicole and Obesser, Katharina and Bösmann, Andreas and Teichmann, Daniel and Arlt, Wolfgang and Dungs, Jennifer and Wasserscheid, Peter},
doi = {10.1002/cssc.201300426},
faupublication = {yes},
journal = {Chemsuschem},
pages = {229--235},
peerreviewed = {Yes},
title = {{Evaluation} of {Industrially} {Applied} {Heat}-{Transfer} {Fluids} as {Liquid} {Organic} {Hydrogen} {Carrier} {Systems}},
volume = {7},
year = {2014}
}
@article{faucris.262979962,
abstract = {Liquid organic hydrogen carrier (LOHC) systems store hydrogen through a catalyst-promoted exothermal hydrogenation reaction and release hydrogen through an endothermal catalytic dehydrogenation reaction. At a given pressure and temperature the amount of releasable hydrogen depends on the reaction equilibrium of the hydrogenation/dehydrogenation reaction. Thus, the equilibrium composition of a given LOHC system is one of the key parameters for the reactor and process design of hydrogen storage and release units. Currently, LOHC equilibrium data are calculated on the basis of calorimetric data of selected, pure hydrogen-lean and hydrogen-rich LOHC compounds. Yet, real reaction systems comprise a variety of isomers, their respective partially hydrogenated species as well as by-products formed during multiple hydrogenation/dehydrogenation cycles. Therefore, our study focuses on an empirical approach to describe the temperature and pressure dependency of the hydrogenation equilibrium of the LOHC system H0/H18-DBT under real life experimental conditions. Because reliable measurements of the degree of hydrogenation (DoH) play a vital role in this context, we describe in this contribution two novel methods of DoH determination for LOHC systems based on 13C NMR and GC-FID measurements.},
author = {Dürr, Stefan and Zilm, S. and Geißelbrecht, Michael and Müller, Karsten and Preuster, Patrick and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1016/j.ijhydene.2021.07.119},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Degree of hydrogenation; Equilibrium; Hydrogen storage; Hydrogenation; LOHC},
note = {CRIS-Team Scopus Importer:2021-08-20},
peerreviewed = {Yes},
title = {{Experimental} determination of the hydrogenation/dehydrogenation - {Equilibrium} of the {LOHC} system {H0}/{H18}-dibenzyltoluene},
year = {2021}
}
@article{faucris.111110604,
abstract = {Due to their low vapor pressures, nonflammability, high thermal stabilities, and excellent tribological properties ionic liquids (ILs) are highly attractive lubricant base oils and additives. However, for practical applications of ILs in lubrication, two requirements are often limiting, the required miscibility with standard mineral oils (≥5 wt %) and the complete absence of corrosive halide ions in the ionic liquid. Moreover, the need for full compatibility with standard oil additives reduces the number of potential IL-based lubricant additives even further. In this contribution, an economic halide-free synthesis route to oil-miscible ionic liquids is presented, and very promising tribological properties of such ILs as base oil or additive are demonstrated. Therefore, sliding tests on bearing steel and XPS analysis of the formed surface films are shown. Corrosion test results of different bearing metals in contact with our halide-free ILs and (salt) water prove their applicability as real life lubricants. In the sustainable chemistry and engineering context, we present a halide-free design approach for ionic performance chemicals that may contribute to significant energy savings due to their enhanced lubrication properties.},
author = {Westerholt, Antje and Weschta, Martin and Bösmann, Andreas and Tremmel, Stephan and Korth, Yasmin and Wolf, Marcus J. and Schlücker, Eberhard and Wehrum, Natalie and Lennert, Angela and Uerdingen, Marc and Holweger, Walter and Wartzack, Sandro and Wasserscheid, Peter},
doi = {10.1021/sc500517n},
faupublication = {yes},
journal = {ACS Sustainable Chemistry & Engineering},
keywords = {Halide-free; Ionic liquid; Lubrication; Noncorrosive; Oil-miscible; XPS},
pages = {797–808},
peerreviewed = {Yes},
title = {{Halide}-{Free} {Synthesis} and {Tribological} {Performance} of {Oil}-{Miscible} {Ammonium} and {Phosphonium}-{Based} {Ionic} {Liquids}},
volume = {3},
year = {2015}
}
@article{faucris.243338851,
abstract = {The need to supply significant amounts of heat at the high temperature level required thermodynamically for cycloalkane dehydrogenation has so far been seen as the main hurdle to bring the otherwise highly attractive Liquid Organic Hydrogen Carrier (LOHC) technology to broad technical use. The LOHC technology promises infrastructure-compatible storage and transport of hydrogen in chemically bound form,e.g.for long-term energy storage, global energy logistics and heavy-duty mobility. Our contribution shows that hydrogen release from the hetero-atom free, pure hydrocarbon LOHC compound perhydro-benzyl toluene is possible at temperatures down to 200 degrees C, if the operation is carried out in a reactive distillation column under reduced pressure. Such low temperature dehydrogenation of hydrocarbon-based LOHC systems facilitates heat integration with waste heat sources and the energetic use of the released hydrogen considerably, and this will greatly enhance the attractiveness of LOHC-based hydrogen storage for many applications.},
author = {Geißelbrecht, Michael and Mrusek, Stephan and Mueller, K. and Preuster, P. and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1039/d0ee01155j},
faupublication = {yes},
journal = {Energy and Environmental Science},
note = {CRIS-Team WoS Importer:2020-10-02},
pages = {3119-3128},
peerreviewed = {Yes},
title = {{Highly} efficient, low-temperature hydrogen release from perhydro-benzyltoluene using reactive distillation},
volume = {13},
year = {2020}
}
@article{faucris.211827883,
abstract = {Ir-Complex catalysed hydrogen release/storage using a 2-methylindole/2-methylindoline Liquid Organic Hydrogen Carrier (LOHC) system is shown to be effective in a temperature range of 120 to 140 8C. In the form of a liquid-liquid biphasic reaction systemwithmolten [PPh4][NTf2] as catalyst immobilisation phase, the applied cationic Ir-complex can be easily separated and recycled enabling a small amount of ionic catalyst solution to store/release a large amount of hydrogen.},
author = {Soegaard, Alexander and Scheuermeyer, Marlene and Bösmann, Andreas and Wasserscheid, Peter and Riisager, Anders},
doi = {10.1039/c8cc09883b},
faupublication = {yes},
journal = {Chemical Communications},
note = {CRIS-Team WoS Importer:2019-02-27},
pages = {2046-2049},
peerreviewed = {Yes},
title = {{Homogeneously}-catalysed hydrogen release/storage using the 2-methylindole/2-methylindoline {LOHC} system in molten salt-organic biphasic reaction systems},
volume = {55},
year = {2019}
}
@article{faucris.252094104,
abstract = {This review deals with the chemical storage of green hydrogen in the form of Liquid Organic Hydrogen Carrier (LOHC) systems. LOHC systems store hydrogen by an exothermal catalytic hydrogenation reaction that converts the hydrogen-lean compounds of the LOHC system to their hydrogen-rich counterparts. All compounds of a technically suitable LOHC system are liquids and this offers the advantage of simple logistics of chemically bound hydrogen in the existing infrastructure for fuels. On demand, hydrogen can be released from the hydrogen-rich LOHC molecule in an endothermal catalytic dehydrogenation at low hydrogen pressure (typically below 5 bar). Our contribution deals first with available sources of green hydrogen for a future hydrogen economy and then describes established technical processes to produce clean hydrogen from technically hydrogen-rich gas mixtures. Subsequently, the review focuses on the hydrogenation of aromatic and heteroaromatic compounds as the key step of the LOHC-based hydrogen storage cycle. Special emphasis is given to the hydrogen-charging of hydrogen-lean LOHC compounds with various gas mixtures demonstrating that such a Mixed Gas Hydrogenation (MGH) process offers the technical potential to selectively extract hydrogen in a chemically bound form that enables very efficient hydrogen logistics. In this way, low cost hydrogen sources can be connected to high value hydrogen application, e.g. hydrogen filling stations for clean mobility applications, to enable a future hydrogen economy.},
author = {Jorschick, Holger and Preuster, Patrick and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1039/d0se01369b},
faupublication = {yes},
journal = {Sustainable Energy & Fuels},
note = {CRIS-Team Scopus Importer:2021-03-19},
pages = {1311-1346},
peerreviewed = {Yes},
title = {{Hydrogenation} of aromatic and heteroaromatic compounds-a key process for future logistics of green hydrogen using liquid organic hydrogen carrier systems},
volume = {5},
year = {2021}
}
@article{faucris.229001356,
abstract = {The cost of industrial hydrogen production and logistics, and the purity of hydrogen produced from different technologies are two critical aspects for the success of a future hydrogen economy. Here, we present a way to charge the Liquid Organic Hydrogen Carrier (LOHC) dibenzyltoluene (H0-DBT) with industrially relevant, CO2- and CO-containing gas mixtures. As only hydrogen binds to the hydrogen-lean carrier molecule, this process step extracts hydrogen from the gas mixture and binds it selectively to the carrier. Pd on alumina has been identified as the most promising catalyst system for successfully hydrogenating H0-DBT using model gas mixtures resembling the compositions produced in methane reforming and in industrial coke production (up to 50% CO2 and 7% CO). Up to 80% of the hydrogen present in the feedstock mixture could be extracted during the LOHC hydrogenation process. 99.5% of the reacting hydrogen was selectively bound to the H0-DBT LOHC compound. The purity of hydrogen released from the resulting perhydro dibenzyltoluene previously charged with the hydrogen-rich gas mixture proved to be up to 99.99 mol%.},
author = {Jorschick, H. and Vogl, M. and Preuster, P. and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1016/j.ijhydene.2019.10.018},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Carbon monoxide; Hydrogen separation; Hydrogen storage; Hydrogenation; LOHC systems; Stranded gas},
note = {CRIS-Team Scopus Importer:2019-11-12},
peerreviewed = {Yes},
title = {{Hydrogenation} of liquid organic hydrogen carrier systems using multicomponent gas mixtures},
year = {2019}
}
@article{faucris.107928304,
abstract = {The catalytic hydrogenation of the LOHC compound dibenzyltoluene (H0-DBT) was investigated by 1H NMR spectroscopy in order to elucidate the reaction pathway of its charging process with hydrogen in the context of future hydrogen storage applications. Five different reaction pathways during H0-DBT hydrogenation were considered including middle-ring preference (middle-side-side, MSS), side-middle-side order of hydrogenation (SMS), side-ring preference (SSM), simultaneous hydrogenation of all three rings without intermediate formation and statistical hydrogenation without any ring preference. Detailed analysis of the 1H NMR spectra of the H0-DBT hydrogenation over time revealed that the reaction proceeds with a very high preference for the SSM order at temperatures between 120 °C and 200 °C and 50 bar in the presence of a Ru/Al2O3-catalyst. HPLC analysis supported this interpretation by confirming an accumulation of H12-DBT species prior to full hydrogenation to H18-DBT with middle ring hydrogenation as the final step.},
author = {Do, Truong Giang and Preuster, Patrick and Aslam, Rabya and Bösmann, Andreas and Müller, Karsten and Arlt, Wolfgang and Wasserscheid, Peter},
doi = {10.1039/C5RE00080G},
faupublication = {yes},
journal = {Reaction Chemistry & Engineering},
peerreviewed = {Yes},
title = {{Hydrogenation} of the liquid organic hydrogen carrier compound dibenzyltoluene – reaction pathway determination by {1H} {NMR} spectroscopy},
year = {2016}
}
@article{faucris.115143644,
abstract = {Although N-ethylcarbazole is considered as a most promising potential liquid organic hydrogen carriers (LOHC) substance, a major drawback for stationary and particularly mobile applications is its high melting point of 343 K. Study of other possible N-alkylcarbazole-derivatives having lower melting points but keeping a high storage density is of practical importance. This contribution presents thermochemical properties (enthalpy of formation, enthalpy of vaporization, enthalpy of sublimation, and fusion enthalpy) for N-alkylcarbazoles (with alkyl = isopropyl, n-propyl, and n-butyl) derived from experiments in order to investigate the applicability of the carbazole derivatives as potential LOHCs. Additionally, high-level quantum chemical calculations were applied to determine molar enthalpies of formation of the gaseous carbazole derivatives and thus validated the experimental findings. Using a combination of the quantum-chemical calculations with vaporization enthalpy data measured in this work, the standard molar liquid phase enthalpies of formation were derived for alkylcarbazole derivatives. Results of this study were applied for thermodynamic analysis of the liquid-phase reversible hydrogenation/dehydrogenation processes with N-alkylcarbazoles.},
author = {Emel'Yanenko, Vladimir N. and Varfolomeev, Mikhail A. and Verevkin, Sergey P. and Stark, Katharina and Müller, Karsten and Müller, Michael and Bösmann, Andreas and Wasserscheid, Peter and Arlt, Wolfgang},
doi = {10.1021/acs.jpcc.5b10392},
faupublication = {yes},
journal = {Journal of Physical Chemistry C},
pages = {26381-26389},
peerreviewed = {Yes},
title = {{Hydrogen} {Storage}: {Thermochemical} {Studies} of {N}-{Alkylcarbazoles} and {Their} {Derivatives} as a {Potential} {Liquid} {Organic} {Hydrogen} {Carriers}},
volume = {119},
year = {2015}
}
@article{faucris.118201644,
abstract = {Our contribution demonstrates that hydrogen storage in stationary Liquid Organic Hydrogen Carrier (LOHC) systems becomes much simpler and significantly more efficient if both, the LOHC hydrogenation and the LOHC dehydrogenation reaction are carried out in the same reactor using the same catalyst. The finding that the typical dehydrogenation catalyst for hydrogen release from perhydro dibenzyltoluene (H18-DBT), Pt on alumina, turns into a highly active and very selective dibenzyltoluene hydrogenation catalyst at temperatures above 220 °C paves the way for our new hydrogen storage concept. Herein, hydrogenation of H0-DBT and dehydrogenation of H18-DBT is carried out at the same elevated temperature between 290 and 310 °C with hydrogen pressure being the only variable for shifting the equilibrium between hydrogen loading and release. We demonstrate that the heat of hydrogenation can be provided at a temperature level suitable for effective dehydrogenation catalysis. Combined with a heat storage device of appropriate capacity or a high pressure steam system, this heat could be used for dehydrogenation.},
author = {Jorschick, Holger and Preuster, Patrick and Dürr, Stefan and Seidel, Alexander and Müller, Karsten and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1039/c7ee00476a},
faupublication = {yes},
journal = {Energy and Environmental Science},
pages = {1652-1659},
peerreviewed = {Yes},
title = {{Hydrogen} storage using a hot pressure swing reactor},
volume = {10},
year = {2017}
}
@article{faucris.244325460,
abstract = {Liquid organic hydrogen carrier (LOHC) systems represent a promising option for hydrogen storage and transport in chemically bound and infrastructure-compatible form. For multiple use of the carrier liquid in repetitive hydrogenation/dehydrogenation cycles, the applied dehydrogenation catalyst has to provide a combination of high productivity and excellent selectivity. In this study, we demonstrate that the catalytic performance of an alumina supported Pt catalyst in the dehydrogenation of perhydro-dibenzyltoluene (H18-DBT) is strongly dependent on the mean Pt nanoparticle size. With reference to the available Pt surface atoms, unmodified Pt nanoparticles have been found to show a maximum in dehydrogenation productivity for Pt particle sizes between 1.95 and 2.70 nm, while the undesired high-boiler formation peaks around 1.5 nm. Furthermore, we show that the exact knowledge of the Pt nanoparticle size makes surface modification with sulphur compounds much more effective. Smaller nanoparticles that exhibit a large share of low-coordinated Pt atoms require a larger amount of sulphur to block the undesired by-product formation caused by these sites. Treated with an optimal amount of sulphur, the maximum Pt-based productivity of the catalyst increases by a factor of 2.8 with a simultaneous reduction of the high-boiler formation by 40%.},
author = {Auer, Franziska and Hupfer, Alexander and Bösmann, Andreas and Szesni, Normen and Wasserscheid, Peter},
doi = {10.1039/d0cy01173h},
faupublication = {yes},
journal = {Catalysis: Science and Technology},
note = {CRIS-Team WoS Importer:2020-10-23},
pages = {6669-6678},
peerreviewed = {Yes},
title = {{Influence} of the nanoparticle size on hydrogen release and side product formation in liquid organic hydrogen carrier systems with supported platinum catalysts},
volume = {10},
year = {2020}
}
@misc{faucris.113100724,
abstract = {An installation for reservoirs of energy comprises a H prodn. unit for producing H, a H storage device for reservoirs the carrier loaded by H with a load unit for loading a carrier with the H produced in the H prodn. unit and with an unloading unit for the discharge of the H of, a heat prodn. unit for producing heat and a heat storage unit for reservoirs by the heat prodn. unit produced heat, whereby the heat storage unit is connected with the unloading unit for making available heat. [on SciFinder(R)]},
author = {Bösmann, Andreas and Preuster, Patrick and Schmidt, Matthias and Teichmann, Daniel and Wasserscheid, Peter and Arlt, Wolfgang},
faupublication = {yes},
keywords = {installation reservoir hydrogen energy},
peerreviewed = {automatic},
title = {{Installation} and process for reservoirs of hydrogen energy.},
year = {2015}
}
@article{faucris.113096764,
abstract = {The surface of macroscopic films of the ternary molten salt mixture Li KCs[OAc] has been investigated by angle-resolved X-ray photoelectron spectroscopy (XPS) as a function of temperature. With increasing temperature a preferential depletion of K is observed by ∼40%. From temperature programmed desorption we find that the onset for the cation desorption follows the order Cs, K, and Li, with activation energies of 125, 148, and 157 kJ mol, respectively; the corresponding value for the [OAc] anion is 147 kJ mol, which is, within the margin of error, identical to the average of the value found for the cations. Ultrathin films of the molten salt deposited on a Au(111) surface by physical vapor deposition show preferential enrichment of Cs, in line with the lower activation energy and thus higher desorption rate of Cs[OAc] from the ternary mixture. Angle-resolved XPS of the molten salt/gold interface demonstrates that the first molten salt monolayer grows in a layer-by-layer growth, followed by three-dimensional island growth at higher coverages. © 2013 American Chemical Society.},
author = {Deyko, Alexey and Bajus, Stephanie and Rietzler, Florian and Bösmann, Andreas and Wasserscheid, Peter and Steinrück, Hans-Peter and Maier, Florian},
doi = {10.1021/jp407689c},
faupublication = {yes},
journal = {Journal of Physical Chemistry C},
pages = {22939-22946},
peerreviewed = {Yes},
title = {{Interface} properties and physicochemical characterization of the low-temperature molten salt {Li}/{K}/{Cs} acetate},
volume = {117},
year = {2013}
}
@article{faucris.121301664,
abstract = {In order to expand the temperature limits of Supported Ionic Liquid Phase (SILP) or Solid Catalyst with Ionic Liquid Layer (SCILL) systems to higher operation temperatures, the mixture of lithium acetate, potassium acetate, and caesium acetate (molar ratio of 0.2/0.275/0.525) has been studied in detail. Physico-chemical properties of the bulk melt are reported together with stability data of the modern salt on various solid support materials showing attractive properties for many potential high temperature applications. © 2012 The Royal Society of Chemistry.},
author = {Bajus, Stephanie and Deyko, Alexey and Bösmann, Andreas and Maier, Florian and Steinrück, Hans-Peter and Wasserscheid, Peter},
doi = {10.1039/c2dt31568h},
faupublication = {yes},
journal = {Dalton Transactions},
month = {Jan},
pages = {14433-14438},
peerreviewed = {Yes},
title = {{Low} melting {Li}/{K}/{Cs} acetate salt mixtures as new ionic media for catalytic applications - first physico-chemical characterization},
volume = {41},
year = {2012}
}
@article{faucris.113093464,
abstract = {This contribution deals with pore diffusion influences on the dehydrogenation kinetics of perhydro-N-ethylcarbazole (H12-NEC). The reaction is of high interest in the context of hydrogen storage in the N-ethylcarbazole (NEC)/perhydro-N-ethylcarbazole (H12-NEC) Liquid Organic Hydrogen Carrier (LOHC) system. The hydrogen content of H12-NEC is 5.8 wt% and total dehydrogenation releases for each mL of H12-NEC more than 600 mL of H-2. Further optimization of H12-NEC dehydrogenation catalysis requires a better understanding of the role of mass transfer effects. Pore diffusion effects have been studied by preparing egg-shell catalysts (Pt/gamma-alumina layer on alpha-alumina core) of different active layer thicknesses (24 -88 mu m). It has been found that even at very thin catalyst layers (24 mu m) the kinetic regime is limited to 235 degrees C, thus pore diffusion effects the dehydrogenation in almost all commercial catalysts strongly.},
author = {Peters, Willi and Seidel, Alexander and Herzog, Stefan and Bösmann, Andreas and Schwieger, Wilhelm and Wasserscheid, Peter},
doi = {10.1039/c5ee02024g},
faupublication = {yes},
journal = {Energy and Environmental Science},
month = {Jan},
pages = {3013-3021},
peerreviewed = {Yes},
title = {{Macrokinetic} effects in perhydro-{N}-ethylcarbazole dehydrogenation and {H2} productivity optimization by using egg-shell catalysts},
volume = {8},
year = {2015}
}
@misc{faucris.122105324,
abstract = {The invention relates to a method for removing chromium from material contg. collagen and chromium, preferably leather contg. chromium, with the use of an extractant, wherein the extractant is a compd. of the formula K+A-, or a mixt. of a compds. of the formula K+A-, where K+ is a cation selected from ammonium, iminium, phosphonium and sulfonium; and A- is an anion selected from phosphate, phosphonate, phosphinate, borate, sulfate, sulfonate, amide, imide, carbene, carboxylate and carbonate, preferably selected from phosphate, phosphonate, phosphinate, thiophosphate, thiophosphonate, and thiophosphinate. [on SciFinder(R)]},
author = {Reiners, Jürgen and Kuhlmann, Sven and Rabe, Volker and Hufschmidt, Jan and Westerholt, Antje and Bösmann, Andreas and Wasserscheid, Peter},
faupublication = {yes},
keywords = {ionic liq extractant leather extn chromium removal},
peerreviewed = {automatic},
title = {{Method} for removing chromium from material containing collagen and chromium.},
year = {2015}
}
@article{faucris.123623544,
abstract = {The present work demonstrates enhanced photocatalytic activity for zeolite-filled TiO2 nanotubes. ZSM-5 zeolite nanocrystals were grown on and into a TiO2 nanotubular skeleton (TiNT/ZSM-5) by multi-step hydrothermal synthesis consisting of in situ seeding and multiple in situ crystallization (MISC). The resulting zeolite nanocrystals were in the range of a few nanometers and they adhere well to the nanotubular inner walls. After crystallization, the photocatalytic activity of this zeolite-filled nanotube catalyst system was compared with neat anatase TiO2 nanotube (TiNT) and with calcined ZSM-5 powder. The results show for TiNT/ZSM-5 a highly enhanced efficiency for the decomposition of acetophenone (used as an aromatic model organic pollutant).},
author = {Paramasivam, Indhumati and Avhale, Abhijeet and Inayat, Amer and Bösmann, Andreas and Schmuki, Patrik and Schwieger, Wilhelm},
doi = {10.1088/0957-4484/20/22/225607},
faupublication = {yes},
journal = {Nanotechnology},
peerreviewed = {Yes},
title = {{MFI}-type ({ZSM}-5) zeolite-filled {TiO2} nanotubes for enhanced photocatalytic activity},
volume = {20},
year = {2009}
}
@article{faucris.285393366,
abstract = {The observable reaction rate of heterogeneously catalyzed reactions is known to be limited either by the intrinsic kinetics of the catalytic transformation or by the rate of pore and/or film diffusion. Here, we show that in gas generation reactions from liquid reactants, the nucleation of gas bubbles in the catalyst pore structure represents an additional important rate-limiting step. This is highlighted for the example of catalytic hydrogen release from the liquid organic hydrogen carrier compound perhydro-dibenzyltoluene. A nucleation-inhibited catalytic system produces only dissolved hydrogen with fast saturation of the fluid phase around the active site, while bubble formation enhances mass transfer by more than a factor of 50 in an oscillating reaction regime. Nucleation can be efficiently triggered not only by temperature changes and catalyst surface modification but also by a mechanical stimulus. Our work sheds new light on performance-limiting factors in reactions that are of highest relevance for the future green hydrogen economy.},
author = {Solymosi, Thomas and Geißelbrecht, Michael and Mayer, Sophie and Auer, Michael and Leicht, Peter and Terlinden, Markus and Malgaretti, Paolo and Bösmann, Andreas and Preuster, Patrick and Harting, Jens and Thommes, Matthias and Vogel, Nicolas and Wasserscheid, Peter},
doi = {10.1126/sciadv.ade3262},
faupublication = {yes},
journal = {Science Advances},
peerreviewed = {Yes},
title = {{Nucleation} as a rate-determining step in catalytic gas generation reactions from liquid phase systems},
volume = {8},
year = {2022}
}
@article{faucris.309667023,
abstract = {Hydrogen storage in liquid organic hydrogen carriers (LOHC) enables the utilization of renewable energy in different sectors. In this paper, we describe the operational experience with one single LOHC system for bidirectional electrical energy storage at the kW scale. The system includes a reactor for the hydrogenation and dehydrogenation of LOHC, as well as a fuel cell and an electrolyzer based on polymer electrolyte membrane (PEM) technology. The LOHC used is the substance pair dibenzyltoluene/perhydro-dibenzyltoluene. For dehydrogenation, the upflow operation with common discharge of liquid and gaseous product was found to be the preferred mode of operation. For hydrogenation, it was shown that stable operation is possible also with fluctuating hydrogen production from the electrolyzer. After operating the reactor for 725 h in the hot state, i.e., at temperatures above 150 ∘C, samples of the catalyst and LOHC were taken and analyzed. These showed no signs of serious degradation.},
author = {Geiling, Johannes and Wagner, Lisa and Auer, Franziska and Ortner, Florian and Nuß, Andreas and Seyfried, Roman and Stammberger, Florian and Steinberger, Michael and Bösmann, Andreas and Öchsner, Richard and Wasserscheid, Peter and Graichen, Knut and März, Martin and Preuster, Patrick},
doi = {10.1016/j.est.2023.108478},
faupublication = {yes},
journal = {Journal of Energy Storage},
keywords = {Catalyst; Hydrogen storage; Liquid organic hydrogen carrier (LOHC); Operation experience; PEM electrolyzer; PEM fuel cell},
note = {CRIS-Team Scopus Importer:2023-08-25},
peerreviewed = {Yes},
title = {{Operational} experience with a liquid organic hydrogen carrier ({LOHC}) system for bidirectional storage of electrical energy over 725 h},
volume = {72},
year = {2023}
}
@article{faucris.206144887,
abstract = {Apart from hydrogen logistics, stationary hydrogen storage applications using Liquid Organic Hydrogen Carrier (LOHC) systems are also of significant interest. In contrast to the traditional use of separate hydrogenation and dehydrogenation reactors, our so-called oneReactor technology offers the advantages of a simpler storage unit layout and high dynamics in switching from hydrogen charging to hydrogen release. Here we report repeated hydrogenation and dehydrogenation cycles with one batch of liquid carrier for LOHC stability tests under defined hydrogenation and dehydrogenation conditions. We demonstrate up to 13 hydrogenation/dehydrogenation cycles over a total of 405 h of operation including two long dehydrogenation sequences over weekends. In general, longer dehydrogenation runs, i.e. exposure of the LOHC to catalyst at low hydrogen pressure and elevated temperatures (> 280 °C), showed negative effects on both activity of the subsequent cycles and by-product formation. Concerning catalyst activity and hydrogen productivity, stable productivity was achieved (within 3 to 9 cycles) under all conditions tested. Longer hydrogenation runs led to significantly higher stability of the reaction system.},
author = {Jorschick, Holger and Dürr, Stefan and Preuster, Patrick and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1002/ente.201800499},
faupublication = {yes},
journal = {Energy Technology},
keywords = {hydrogen storage, LOHC systems, hydrogenation, dehydrogenation, platinum, stability},
peerreviewed = {unknown},
title = {{Operational} stability of a {LOHC}-based hot pressure swing reactor for hydrogen storage},
year = {2018}
}
@article{faucris.107179424,
abstract = {Beech lignin was oxidatively cleaved in ionic liquids to give phenols, unsaturated propylaromatics, and aromatic aldehydes. A multiparallel batch reactor system was used to screen different ionic liquids and metal catalysts. Mn(NO${\_}3$)${\_}2$ in 1-ethyl-3-methylimidazolium trifluoromethanesulfonate [EMIM][CF${\_}3$SO${\_}3$] proved to be the most effective reaction system. A larger scale batch reaction with this system in a 300mL autoclave (11g lignin starting material) resulted in a maximum conversion of 66.3 {\%} (24h at 100 °C, 84$\times$105Pa air). By adjusting the reaction conditions and catalyst loading, the selectivity of the process could be shifted from syringaldehyde as the predominant product to 2,6-dimethoxy-1,4-benzoquinone (DMBQ). Surprisingly, the latter could be isolated as a pure substance in 11.5 wt {\%} overall yield by a simple extraction/crystallization process.},
author = {Hildebrandt-Stärk, Kerstin and Taccardi, Nicola and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1002/cssc.200900242},
faupublication = {yes},
journal = {Chemsuschem},
pages = {719--723},
peerreviewed = {Yes},
title = {{Oxidative} {Depolymerization} of {Lignin} in {Ionic} {Liquids}},
volume = {3},
year = {2010}
}
@article{faucris.319719993,
abstract = {We here report the photochemical synthesis of formaldehyde by gas phase methanol oxidation with oxygen in a sophisticated continuous laboratory setup. The commonly used benchmark photocatalyst Evonik Aeroxide P25 was applied in combination with a narrow peak UV-A LED light source. Prior to its use, the applied powder catalyst was immobilized with a simple spray coating technique to a steel plate support (300 mm × 130 mm × 20 mm). With this system, reaction engineering studies have been carried out to elaborate the dependencies of catalyst mass, irradiation, residence time and temperature on achieved conversions, selectivities, yields, reaction rates, and apparent quantum efficiencies. We found that catalyst load influences conversion in an extended plateau like manner. High irradiation and residence time benefit MeOH conversion while the selectivity for HCHO decreases with both parameters. Temperature showed an interesting influence, as it increases both conversion and selectivity, until desorption effects become dominating over 120 °C. Our work thus for the first time provides application relevant information for an industrial highly interesting reaction and a heavily researched model photocatalytic system that has so far been mainly studied under surface science conditions.},
author = {Stubenrauch, Florian and Schörner, Markus and Bösmann, Andreas and Schühle, Patrick and Wasserscheid, Peter},
doi = {10.1039/d3re00503h},
faupublication = {yes},
journal = {Reaction Chemistry & Engineering},
note = {CRIS-Team Scopus Importer:2024-03-15},
peerreviewed = {Yes},
title = {{Photocatalytic} methanol oxidation to formaldehyde in a continuous laboratory plant over {Aeroxide} {P25}},
year = {2024}
}
@misc{faucris.119225744,
abstract = {The present invention relates to chem. compds. comprising of formula [X(CHRa)n-CH(Ra)SO3]- [X = F, Cl, Br, acyl; n = 1 - 3; Ra = H, C1-12 alkyl; Rb = C1-12], their prepn. and application. The chem. compds. are preferably ionic liqs. Compd. I was prepd. by addn. of the anion of 1-butyl-3-methylimidazolium chloride to 1,4-butane sulfone. [on SciFinder(R)]},
author = {Wasserscheid, Peter and Paape, Natalia and Bösmann, Andreas and Schulz, Peter},
faupublication = {yes},
keywords = {imidazolium chloride sultone anion addn; sulfonate imidazolium prepn ionic liq; tetraalkylammonium sulfonate prepn ionic liq},
title = {{Preparation} of ionic liquids and their application.},
year = {2009}
}
@article{faucris.255679949,
abstract = {We demonstrate that the combination of hydrogen release from a Liquid Organic Hydrogen Carrier (LOHC) system with electrochemical hydrogen compression (EHC) provides three decisive advantages over the state-of-the-art hydrogen provision from such storage system: a) The EHC device produces reduced hydrogen pressure on its suction side connected to the LOHC dehydrogenation unit, thus shifting the thermodynamic equilibrium towards dehydrogenation and accelerating the hydrogen release; b) the EHC device compresses the hydrogen released from the carrier system thus producing high value compressed hydrogen; c) the EHC process is selective for proton transport and thus the process purifies hydrogen from impurities, such as traces of methane. We demonstrate this combination for the production of compressed hydrogen (absolute pressure of 6 bar) from perhydro dibenzyltoluene at dehydrogenation temperatures down to 240 °C in a quality suitable for fuel cell operation, e.g. in a fuel cell vehicle. The presented technology may be highly attractive for providing compressed hydrogen at future hydrogen filling stations that receive and store hydrogen in a LOHC-bound manner.},
author = {Mrusek, Stephan and Preuster, Patrick and Müller, Karsten and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1016/j.ijhydene.2021.02.021},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Compression; Dehydrogenation; Heat integration; Hydrogen storage; Purity},
note = {CRIS-Team Scopus Importer:2021-04-19},
peerreviewed = {Yes},
title = {{Pressurized} hydrogen from charged liquid organic hydrogen carrier systems by electrochemical hydrogen compression},
year = {2021}
}
@misc{faucris.122389344,
abstract = {The invention relates to a method for producing and isolating lactic acid, wherein the lactic acid is produced from a base material contg. carbohydrates by fermn. while adding ammonia, and the release of the lactic acid from the ammonia salt of the lactate occurs by adding a mineral acid, and the isolation of the lactic acid occurs by an extn. using an alkylated amine, and extn. preferably occurring at a pH value of 4.0 to 2.0, wherein a multi-phase mixt. is formed, which is split, whereupon the formed phase is either distd. using the lactate salt of the amine, wherein the lactic acid is obtained as a pure product, or the formed phase is thermally decompd. with the lactate salt of the amine, by means of which an oligolactide is obtained, which can be distd., wherein pure dilactide is obtained. The invention further relates to a device, by means of which said method can be carried out. [on SciFinder(R)]},
author = {Schulze, Joachim and Tietz, Wolfgang and Wasserscheid, Peter and Bösmann, Andreas},
faupublication = {yes},
keywords = {lactic acid fermn amine extn},
peerreviewed = {automatic},
title = {{Production} of lactic acid by fermentation and extraction using amines.},
year = {2009}
}
@article{faucris.230755132,
abstract = {While Liquid Organic Hydrogen Carrier (LOHC) systems offer a very promising way of infrastructure-compatible storage and transport of hydrogen, the hydrogen quality released from charged LOHC compounds by catalytic dehydrogenation has been a surprisingly rarely discussed topic to date. This contribution deals, therefore, with a detailed analysis of the hydrogen purity released from the hydrogen-rich Liquid Organic Hydrogen Carrier compound perhydro dibenzyltoluene (H18-DBT). We demonstrate, that high purity hydrogen (>99.999%) with carbon monoxide levels below 0.2 ppmv can be obtained from the dehydrogenation of H18-DBT if the applied H18-DBT had been carefully pre-dried and pre-purified prior to the dehydrogenation experiment. Indeed, the largest part of relevant impurities to comply with the hydrogen quality standard for fuel cells in road vehicles (ISO 14687-2) was found to originate from water and oxygenate impurities present in the applied, technical LOHC qualities.},
author = {Bulgarin, Alexander and Jorschick, Holger and Preuster, Patrick and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1016/j.ijhydene.2019.10.067},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Carbon monoxide; Hydrogen storage; LOHC systems; Oxygenates; Water},
note = {CRIS-Team Scopus Importer:2019-12-20},
peerreviewed = {Yes},
title = {{Purity} of hydrogen released from the {Liquid} {Organic} {Hydrogen} {Carrier} compound perhydro dibenzyltoluene by catalytic dehydrogenation},
year = {2019}
}
@article{faucris.119792244,
abstract = {The applicability of infrared (IR) spectroscopy for quantitative concentration measurements in mixtures of carbohydrates and ionic liquids (ILs) is investigated. The compound 1-ethyl-3-methyl-imidazolium acetate, [EMIM][OAc] - an "enzyme-friendly" ionic liquid with great application potential in the dissolution of various biomass - is used as solvent in combination with alpha-D-glucose. Our study establishes a new way to monitor the concentration of sugars in ILs, thus providing a convenient method to follow the kinetics of, for example, enzymatic reactions in [EMIM][OAc]. As a first step; we present the IR spectrum of pure [EMIM][OAc] (this constitutes the first vibrational study of this particular IL). Although numerous lines overlap in the fingerprint region of the spectrum characteristic features can be assigned to the corresponding vibrational modes of both ions. Secondly, we study different mixtures of the IL with alpha-D-glucose (in the concentration range 0-20 mass % glucose) and analyze them by means of IR spectroscopy, followed by computational methods, thus demonstrating the great potential of this spectroscopic technique in quantitative measurements.},
author = {Kiefer, Johannes and Obert, Katharina and Bösmann, Andreas and Seeger, Thomas and Wasserscheid, Peter and Leipertz, Alfred},
doi = {10.1002/cphc.200800170},
faupublication = {yes},
journal = {ChemPhysChem},
keywords = {biotechnology;carbohydrates;ionic liquids;IR spectroscopy;spectroscopic methods},
pages = {1317-1322},
peerreviewed = {Yes},
title = {{Quantitative} analysis of alpha-{D}-glucose in an ionic liquid by using infrared spectroscopy},
volume = {9},
year = {2008}
}
@article{faucris.294596372,
abstract = {In the past two decades, ionic liquids have found many applications as solvents for complex solutes. Prominent examples are the dissolution of biomass and carbohydrates as well as catalytically active substances. The chemical analysis of such solutions, however, is still a challenge due to the molecular complexity. In the present work, the use of infrared spectroscopy for quantifying the concentration of different solutes dissolved in an imidazolium-based ionic liquid is investigated. Binary solutions of glucose, cellubiose, and Wilkinson's catalyst in 1-ethyl-3-methylimidazolium acetate are studied as examples. For this purpose, different chemometric approaches (principal component analysis (PCA), partial least-squares regression (PLSR), and principal component regression (PCR)) for analyzing the spectra are tested. Principal component analysis was found to be suitable for classifying the different solutions. Both regression techniques were capable of deriving accurate concentration values. The performance of PLSR was slightly better than that of PCR for the same number of components.},
author = {Kiefer, Johannes and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1515/teme-2016-0031},
faupublication = {yes},
journal = {Technisches Messen},
keywords = {FTIR; Hauptkomponentenanalyse; Konzentrationsbestimmung; Regression},
month = {Jan},
note = {CRIS-Team Scopus Importer:2023-03-29},
pages = {32-37},
peerreviewed = {Yes},
title = {{Quantitative} measurement of complex substances dissolved in an ionic liquid using {IR} spectroscopy and chemometrics},
volume = {84},
year = {2017}
}
@article{faucris.313785712,
abstract = {In reactions that release gaseous products from liquids, heterogeneous, porous catalysts can be in an active or nucleation-inhibited state as has recently been shown by our group for batch dehydrogenation reactions. This paper investigates this practically highly relevant phenomenon now in a continuous tube reactor for the example of liquid organic hydrogen carrier (LOHC) dehydrogenation. A mechanical stimulus, increase in reaction temperature or decrease in residence time reactivates the inhibited catalyst bed. Furthermore, the experimental results indicate that the dehydrogenation reaction turns into a hydrogenation reaction for thermodynamic reasons as the catalyst bed cools down. Hydrogenation is responsible for the consumption of the gas phase and thus a liquid filling of the pellets, which causes the nucleation-inhibition. Our work reveals new aspects of nucleation-inhibition on catalyst beds and provides insights into the efficient operation of heterogeneous catalytic gas release reactions in which this phenomenon occurs.},
author = {Uhrig, Felix and Solymosi, Thomas and Preuster, Patrick and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1016/j.ijhydene.2023.10.071},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Dehydrogenation; LOHC; Nucleation-inhibited catalyst; Reactivation},
note = {CRIS-Team Scopus Importer:2023-11-10},
peerreviewed = {Yes},
title = {{Reactivation} strategies for nucleation-inhibited catalyst beds in continuously operated gas-release reactions from liquids},
year = {2023}
}
@article{faucris.123299704,
author = {Rüde, Timo and Bösmann, Andreas and Preuster, Patrick and Wasserscheid, Peter and Arlt, Wolfgang and Müller, Karsten},
doi = {10.1002/ente.201700446},
faupublication = {yes},
journal = {Energy Technology},
peerreviewed = {Yes},
title = {{Resilience} of {LOHC} {Based} {Energy} {Storage} {Systems}},
year = {2017}
}
@article{faucris.113094124,
abstract = {Due to the known corrosion and crystallization issues of LiBr/H2O, the state-of-the-art working pair in sorption heat pump (SHP) systems, research into alternative working pairs is of high practical relevance. We have studied a wide range of ionic liquids (ILs) for this application in order to find potential new systems with enhanced performance. The screening was conducted with a focus on vapor pressure measurements of, in total, 74 examined working pairs. As common vapor liquid-equilibrium measurements are very precise but rather time-consuming, we developed a new setup allowing a fast relative determination of humidities with very small sample volumes for screening purposes. By this method we identified seventeen IL/H2O working pairs fulfilling the technical relevant criterion of a water vapor pressure p(H2O) <= 10 mbar at T = 308 K with an IL content of less than 80 wt % (wm < 0.8). Further evaluation of these candidates with respect to their thermal stability and viscosity allowed us to identify [MMIM][HCOO]/H2O, [MIVIIM][OAc]/H2O, [M.MININC2H5COO]/H2O, [Me4N][HCOO]/H2O, [Me4N][OAc]/ H2O and [Me4N] [C2H5COO]/H2O as the most promising IL/H2O systems for a possible application in SHP systems.},
author = {Popp, Sabine and Bösmann, Andreas and Woelfel, Rene and Wasserscheid, Peter},
doi = {10.1021/acssuschemeng.5b00062},
faupublication = {yes},
journal = {ACS Sustainable Chemistry & Engineering},
keywords = {Ionic liquid;Sorption heat pump;Vapor pressure;Thermal stability},
pages = {750-757},
peerreviewed = {Yes},
title = {{Screening} of {Ionic} {Liquid}/{H2O} {Working} {Pairs} for {Application} in {Low} {Temperature} {Driven} {Sorption} {Heat} {Pump} {Systems}},
volume = {3},
year = {2015}
}
@article{faucris.121985204,
abstract = {A new and straightforward method to transform carbohydrate-based biomass to formic acid (FA) by oxidation with molecular oxygen in aqueous solution using a Keggin-type H5PV2Mo10O40 polyoxometalate as catalyst is presented. Several water-soluble carbohydrates were fully and selectively converted to formic acid and CO2 under very mild conditions. It is worth noting, even complex biomass mixtures, such as poplar wood sawdust, were transformed to formic acid, giving 19 wt{\%} yield (11{\%} based on the carbon atoms in the feedstock) under non-optimized conditions.},
author = {Woelfel, Rene and Taccardi, Nicola and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1039/C1GC15434F},
faupublication = {yes},
journal = {Green Chemistry},
pages = {2759--2763},
peerreviewed = {Yes},
title = {{Selective} catalytic conversion of biobased carbohydrates to formic acid using molecular oxygen},
volume = {13},
year = {2011}
}
@article{faucris.113346244,
abstract = {The oxidation of complex, water-insoluble biomass to formic acid is reported using a Keggin-type polyoxometalate (H5PV2Mo10O40) as the homogeneous catalyst, oxygen as the oxidant, water as the solvent and p-toluenesulfonic acid as the best additive. The reaction proceeds at 90 degrees C and 30 bar O-2 and transforms feedstock like wood, waste paper, or even cyanobacteria to formic acid and CO2 as the sole products. The reaction obtains up to 53% yield in formic acid for xylan as the feedstock within 24 h. Besides the role of the additive as a reaction promoter, the formic acid isolation and the recycling of catalyst and additive are demonstrated.},
author = {Albert, Jakob and Woelfel, Rene and Bösmann, Andreas and Wasserscheid, Peter},
doi = {10.1039/c2ee21428h},
faupublication = {yes},
journal = {Energy and Environmental Science},
pages = {7956-7962},
peerreviewed = {Yes},
title = {{Selective} oxidation of complex, water-insoluble biomass to formic acid using additives as reaction accelerators},
volume = {5},
year = {2012}
}
@article{faucris.120399224,
abstract = {Different Keggin-type polyoxometalates have been synthesized and characterized in order to identify optimized homogeneous catalysts for the selective oxidation of biomass to formic acid (FA) using oxygen as an oxidant and p-toluenesulfonic acid as an additive. Applying the optimized polyoxometalate catalyst system H[PVMoO ] (HPA-5), a total FA-yield (with respect to carbon in the biogenic feedstock) of 60% for glucose within 8 h reaction time and 28% for cellulose within 24 h reaction time could be achieved. The transformation is characterized by its mild reaction temperature, its excellent selectivity to FA in the liquid product phase and its applicability to a very wide range of biogenic raw materials including non-edible biopolymers and complex biogenic mixtures. © 2014 The Royal Society of Chemistry.},
author = {Albert, Jakob and Lüders, Daniela and Bösmann, Andreas and Guldi, Dirk Michael and Wasserscheid, Peter},
doi = {10.1039/c3gc41320a},
faupublication = {yes},
journal = {Green Chemistry},
pages = {226-237},
peerreviewed = {Yes},
title = {{Spectroscopic} and electrochemical characterization of heteropoly acids for their optimized application in selective biomass oxidation to formic acid},
volume = {16},
year = {2014}
}
@misc{faucris.113100504,
abstract = {The system for utilizing hydrogen comprises a transfer hydrogenation device that includes a transfer hydrogenation unit for hydrogenating a material to be hydrogenated, and a hydrogen supplying device for supplying hydrogen for the transfer hydrogenation device. The hydrogen supplying device allows hydrogen to be supplied in a bound form for the transfer hydrogenation device and is provided with a loading unit for loading a carrier medium with hydrogen. [on SciFinder(R)]},
author = {Arlt, Wolfgang and Bösmann, Andreas and Preuster, Patrick and Wasserscheid, Peter},
faupublication = {yes},
keywords = {system utilizing hydrogen},
peerreviewed = {automatic},
title = {{System} and method for utilizing hydrogen.},
year = {2015}
}
@article{faucris.246384394,
abstract = {Indole and methylindole are heterocyclic aromatics, which can be hydrogenated and used for hydrogen storage. A huge advantage of heterocyclic components compared to homocyclic aromatics is the lower enthalpy of reaction for hydrogen release by dehydrogenation. In this study, thermochemical properties of indole and 2-methylindole and its partially and fully hydrogenated derivatives have been determined. Hydrogenation of indoles is a two-step reaction, which is highly influenced by reaction thermodynamics. High precision combustion calorimetry was used to measure enthalpies of formation of indole derivatives. The gas-phase enthalpies of formation were derived with the help of vapor pressure measurements. The high-level quantum-chemical methods were used to establish consistency of the experimental data. The standard molar thermodynamic functions of formation (enthalpy, entropy, and Gibbs energy) of indole derivatives were derived. The results showed that the partially hydrogenated species, 2-methylindoline, tends to dehydrogenate easily under hydrogen release conditions. Thus, indoline is only expected in trace amounts in the respective reaction mixture.},
author = {Konnova, Maria E. and Li, Shao and Bösmann, Andreas and Müller, Karsten and Wasserscheid, Peter and Andreeva, Irina V. and Turovtzev, V. V. and Zaitsau, Dzmitry H. and Pimerzin, Aleksey A. and Verevkin, Sergey P.},
doi = {10.1021/acs.iecr.0c04069},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
note = {CRIS-Team Scopus Importer:2020-12-04},
peerreviewed = {Yes},
title = {{Thermochemical} {Properties} and {Dehydrogenation} {Thermodynamics} of {Indole} {Derivates}},
year = {2020}
}
@article{faucris.276326623,
abstract = {Liquid Organic Hydrogen Carriers are substances that store hydrogen by reversible hydrogenation of aromatic compounds. A major advantage is the fact that they enable the safe and dense storage of large amounts of hydrogen. Nitrogen-containing heterocycles, particularly with five-membered rings, have demonstrated the advantage of lower heats of reaction for dehydrogenation compared to homocyclic systems. In this work, 6,7-benzindole and its hydrogenated form, dodecahydro-6,7–benzindole, have been analyzed regarding their thermodynamic properties. The results have been obtained via high-precision combustion calorimetry and accompanied by quantum-chemical calculations to validate the results. The enthalpy of reaction for dehydrogenation has been determined as ΔrHmo(gas) = +348.9 ± 3.5 kJ·mol−1 in the gas phase and ΔrHmo(liq) = +325.7 ± 3.7 kJ·mol−1 in the liquid phase (ΔrHmo(gas) = +58.2 ± 0.6 kJ·molH2–1 and ΔrHmo(liq) = +54.3 ± 0.6 kJ·molH2–1, respectively). This reaction enthalpy is similar to values for other heterocyclic systems like indole and about 11 kJ·molH2–1 lower than that of homocyclic systems, such as perhydro dibenzyl toluene. As a consequence, it can be expected that the temperature needed thermodynamically to enable hydrogen release from dodecahydro-6,7–benzindole will be lower than for the dehydrogenation of perhydro dibenzyl toluene.},
author = {Kondratev, Stanislav O. and Zaitsau, Dzmitry H. and Vostrikov, Sergey V. and Li, Shao and Bösmann, Andreas and Wasserscheid, Peter and Müller, Karsten and Verevkin, Sergey P.},
doi = {10.1016/j.fuel.2022.124410},
faupublication = {yes},
journal = {Fuel},
keywords = {Enthalpies of phase transitions; Enthalpy of combustion; Enthalpy of formation; LOHC; Structure–property relationships; Vapor pressure},
note = {CRIS-Team Scopus Importer:2022-06-03},
peerreviewed = {Yes},
title = {{Thermochemical} properties of 6,7-benzindole and its perhydrogenated derivative: {A} model component for liquid organic hydrogen carriers},
volume = {324},
year = {2022}
}
@article{faucris.222886347,
abstract = {The high temperature required for hydrogen release from Liquid Organic Hydrogen Carrier (LOHC) systems has been considered in the past as the main drawback of this otherwise highly attractive and fully infrastructure-compatible form of chemical hydrogen storage. According to the state-of-the art, the production of electrical energy from LOHC-bound hydrogen, e.g. from perhydro-dibenzyltoluene (H18-DBT), requires provision of the dehydrogenation enthalpy (e.g. 65 kJ mol-1 (H2) for H18-DBT) at a temperature level of 300 °C followed by purification of the released hydrogen for subsequent fuel cell operation. Here, we demonstrate that a combination of a heterogeneously catalysed transfer hydrogenation from H18-DBT to acetone and fuel cell operation with the resulting 2-propanol as a fuel, allows for an electrification of LOHC-bound hydrogen in high efficiency (>50%) and at surprisingly mild conditions (temperatures below 200 °C). Most importantly, our proposed new sequence does not require an external heat input as the transfer hydrogenation from H18-DBT to acetone is almost thermoneutral. In the PEMFC operation with 2-propanol, the endothermal proton release at the anode is compensated by the exothermic formation of water. Ideally the proposed sequence does not form and consume molecular H2 at any point which adds a very appealing safety feature to this way of producing electricity from LOHC-bound hydrogen, e.g. for applications on mobile platforms.},
author = {Sievi, Gabriel and Geburtig, Denise and Skeledzic, Tanja and Bösmann, Andreas and Preuster, Patrick and Brummel, Olaf and Waidhas, Fabian and Montero, María A. and Khanipourmehrin, Peyman and Katsounaros, Ioannis and Libuda, Jörg and Mayrhofer, Karl and Wasserscheid, Peter},
doi = {10.1039/c9ee01324e},
faupublication = {yes},
journal = {Energy and Environmental Science},
note = {CRIS-Team Scopus Importer:2019-07-23},
pages = {2305-2314},
peerreviewed = {Yes},
title = {{Towards} an efficient liquid organic hydrogen carrier fuel cell concept},
volume = {12},
year = {2019}
}