Peter Wasserscheid

Friedrich-Alexander Universität Erlangen-Nürnberg, Erlangen, Bavaria, Germany

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Publications (343)1453.51 Total impact

  • The Journal of Physical Chemistry C 08/2015; DOI:10.1021/acs.jpcc.5b06178 · 4.77 Impact Factor
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    ABSTRACT: The surface tension of nine tricyanomethanide ([C(CN)3]−)- and tetracyanoborate ([B(CN)4]−)-based ionic liquids (ILs) carrying a homologous series of the 1-alkyl-3-methylimidazolium ([alkyl-MIM]+) cations [EMIM]+ (ethyl), [BMIM]+ (butyl), [HMIM]+ (hexyl), [OMIM]+ (octyl), and [DMIM]+ (decyl) was measured with the pendant drop method in the temperature range between (283 and 353) K at atmospheric pressure with an estimated uncertainty of 2 % (k = 2). For the probed ILs, the surface tension decreases with increasing temperature and increasing alkyl chain length of the cation. Smaller values for the [B(CN)4]−-based ILs compared to the [C(CN)3]−-based ILs having the same cation were observed. The measured surface tensions agree with the limited number of experimental data found in the literature for the two IL families. A simple prediction based on the surface tension measured at 293 K and the temperature dependence of density showed good agreement with the measured temperature-dependent data. In comparison to other [alkyl-MIM]+-based ILs with anions of varying molecular size, the fairly large surface tensions of the ILs investigated in this study could be attributed to the strong charge delocalization in their relatively small anions.
    Journal of Chemical & Engineering Data 08/2015; 60(9):150806093707009. DOI:10.1021/acs.jced.5b00303 · 2.04 Impact Factor
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    ABSTRACT: The telomerization of butadiene with methanol was investigated in the presence of different palladium catalysts modified either with triphenylphosphine (TPP) or 1,3-dimesityl-imidazol-2-ylidene (IMes) ligand. When pure butadiene was used as substrate, a moderate selectivity for the Pd-TPP catalyst toward the desired product 1-methoxy-2,7-octadiene (1-Mode) of around 87% was obtained, while the IMes carbene ligand almost exclusively formed 1-Mode with 97.5% selectivity. The selectivity remained unchanged when the pure butadiene feed was replaced by synthetic crack-C4 (sCC4), a technical feed of 45 mol% butadiene and 55 mol% inerts (butenes and butanes). The TPP-modified catalyst showed a lower reaction rate, which was attributed to the expected dilution effect caused by the inerts. Surprisingly, the IMes-modified catalyst showed a higher rate with sCC4 compared to the pure feed. By means of a model-based experimental analysis, kinetic rate equations could be derived. The kinetic modeling supports the assumption that the two catalyst systems follow different kinetic rate equations. For the Pd-TPP catalyst, the reaction kinetics were related to the Jolly mechanism. In contrast, the Jolly mechanism had to be adapted for the Pd-IMes catalyst as the impact of the base seems to differ strongly from that for the Pd-TPP catalyst. The Pd-IMes system was found to be zero order in butadiene at moderate to high butadiene concentrations and first order in base while the nucleophilicity of the base is influenced by the methanol amount resulting in a negative reaction order for methanol.
    Journal of Catalysis 08/2015; 329:547 - 559. DOI:10.1016/j.jcat.2015.06.004 · 6.92 Impact Factor
  • Jakob Albert · Peter Wasserscheid
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    ABSTRACT: The selective oxidation of complex, water-insoluble and wet biomasses from second and third generation to formic acid including effective catalyst recycling is reported. Additionally, the relevance and limits of potential contaminants are illustrated by different experimental approaches. By using a very robust homogeneous polyoxometalate catalyst in aqueous solution, molecular oxygen as oxidant and an acid as solubilizer, it is possible to convert different lignocellulosic and algae feedstock into formic acid and pure carbon dioxide. The applied green oxidation system benefits from its low reaction temperature (below 100 °C) and its very selective nature. Furthermore, catalyst recycling over three batches has been successfully carried out.
    Green Chemistry 07/2015; DOI:10.1039/C5GC01474C · 8.02 Impact Factor
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    ABSTRACT: Ionic liquids (ILs) are possible working fluids for the separation of carbon dioxide (CO2) from flue gases. For evaluating their performance in such processes, reliable mutual-diffusivity data are required for mixtures of ILs with relevant flue gas components. In the present study, dynamic light scattering (DLS) and Molecular Dynamics (MD) simulations were used for the investigation of the molecular diffusion in binary mixtures of the IL 1-ethyl-3-methylimidazolium tetracyanoborate ([EMIM][B(CN)4]) with the dissolved gases carbon dioxide, nitrogen, carbon monoxide, hydrogen, methane, oxygen, and hydrogen sulfide at temperatures from 298.15 to 363.15 K and pressures up to 63 bar. At conditions approaching infinite dilution of a gas, the Fick mutual diffusivity of the mixture measured by DLS and the self-diffusivity of the corresponding gas calculated by MD simulations match, which could be generally found within combined uncertainties. The obtained diffusivities are in agreement with literature data for the same or comparable systems as well as with the general trend of increasing diffusivities for decreasing IL viscosities. The DLS and MD results reveal distinctly larger molecular diffusivities for [EMIM][B(CN)4]-hydrogen mixtures compared to mixtures with all other gases. This behavior results in the failure of an empirical correlation with the molar volumes of the gases at their normal boiling points. The DLS experiments also showed that there is no noticeable influence of the dissolved gas and temperature on the thermal diffusivity of the studied systems.
    The Journal of Physical Chemistry B 06/2015; 119(27). DOI:10.1021/acs.jpcb.5b02659 · 3.30 Impact Factor
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    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 viscosity-temperature behavior has been investigated for task-specific, halogen-free ionic liquids and benchmarked against polyalpha olefins. Measuring 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.
    Industrial & Engineering Chemistry Research 04/2015; 54(21):150422132437002. DOI:10.1021/acs.iecr.5b00494 · 2.59 Impact Factor
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    ABSTRACT: Ultrahigh vacuum (UHV) surface science techniques are used to study the heterogeneous catalytic dehydrogenation of a liquid organic hydrogen carrier in its liquid state close to the conditions of real catalysis. For this purpose, perhydrocarbazole (PH), otherwise volatile under UHV, is covalently linked as functional group to an imidazolium cation, forming a non-volatile ionic liquid (IL). The catalysed dehydrogenation of the PH unit as a function of temperature is investigated for a Pt foil covered by a macroscopically thick PH-IL film and for Pd particles suspended in the PH-IL film, and for PH-IL on Au as inert support. X-ray photoelectron spectroscopy and thermal desorption spectroscopy allows us to follow in situ the catalysed transition of perhydrocarbazole to carbazole at technical reaction temperatures. The data demonstrate the crucial role of the Pt and Pd catalysts in order to shift the dehydrogenation temperature below the critical temperature of thermal decomposition. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
    ChemPhysChem 04/2015; 16(9). DOI:10.1002/cphc.201500236 · 3.42 Impact Factor
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    ABSTRACT: Due to their low vapour pressures, non-flammability, 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.
    ACS Sustainable Chemistry & Engineering 04/2015; 3(5):150413124513007. DOI:10.1021/sc500517n · 4.64 Impact Factor
  • Sabine Popp · Andreas Bösmann · René Wölfel · Peter Wasserscheid
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    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 pH2O ≤ 10 mbar at T = 308 K with an IL content of less than 80 wt % (wIL < 0.8). Further evaluation of these candidates with respect to their thermal stability and viscosity allowed us to identify [MMIM][HCOO]/H2O, [MMIM][OAc]/H2O, [MMIM][C2H5COO]/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.Keywords: Ionic liquid; Sorption heat pump; Vapor pressure; Thermal stability
    ACS Sustainable Chemistry & Engineering 04/2015; 3(4):750-757. DOI:10.1021/acssuschemeng.5b00062 · 4.64 Impact Factor
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    ABSTRACT: Low-viscosity ionic liquids (ILs) based on the anions [B(CN)4]- (tetracyanoborate) and [C(CN)3]- (tricyanomethanide) are currently discussed as alternative working fluids for various applications. The dynamic viscosity of such ILs carrying [1-alkyl-MIM]+ (1-alkyl-3-methylimidazolium) cations was investigated via determining the translational particle diffusion coefficient by dynamic light scattering (DLS). The long-term stability of suspensions of different particles in the ILs, their particle diameters, and the influence of laser power on the measured particle diffusion coefficient for semi-transparent ILs were studied. For temperatures from 283 to 353 K at atmospheric pressure, the dynamic viscosity of the four pure ILs forming stable suspensions was obtained with an uncertainty of less than 5% (k = 2) and agrees with literature. Absorption of CO2 at pressures up to 0.87 MPa induced a distinct decrease in the dynamic viscosity. Differences between the viscosities of the different systems can be explained by varying strength of molecular interactions.
    Industrial & Engineering Chemistry Research 03/2015; 54(11):150309114145005. DOI:10.1021/acs.iecr.5b00086 · 2.59 Impact Factor
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    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 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 into 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.
    Energy & Environmental Science 03/2015; 8(3). DOI:10.1039/C4EE03528C · 20.52 Impact Factor
  • Hans‐Peter Steinrueck · Peter Wasserscheid
    ChemInform 03/2015; 46(13). DOI:10.1002/chin.201513315
  • Alexander Tremel · Peter Wasserscheid · Manfred Baldauf · Thomas Hammer
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    ABSTRACT: The production of hydrogen from renewable sources by water electrolysis can be coupled to a downstream chemical synthesis. This enables the production of liquid fuels or chemical raw materials that can be used in today's infrastructure. However, it is not clear which synthesis technology fits best to the novel boundary conditions for chemical plants (e.g. small scale, flexible operation). In order to identify the most promising syntheses, different one-stage synthesis systems are evaluated in terms of technology, economics and acceptance. The analysis gives in all cases production costs that are significantly above today's market prices. Fischer-Tropsch (FT) synthesis routes are expected to have a higher public acceptance compared to the other technologies due to the high product similarity to conventional energy carriers (diesel, crude oil). The economic feasibility of synthetic natural gas (SNG) production suffers from the low product price of natural gas as a benchmark, but its technical score is high. Methanol production is identified as the synthesis technology that achieves the highest overall score. The analysis shows that not only techno-economic parameters, but also parameters representing the public acceptance like the fit to the existing infrastructure, have to be considered to identify appropriate technologies that may play a role in future energy systems.
    International Journal of Hydrogen Energy 02/2015; DOI:10.1016/j.ijhydene.2015.01.097 · 3.31 Impact Factor
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    ABSTRACT: A catalyst designed for homogeneous catalysis is shown to generate its own liquid phase if deposited onto a support. In this way, a macroscopically heterogeneous catalyst generates a microscopically homogeneous catalytic environment by self-organization. 2,2'-((3,3'-di-tert-butyl-5,5'-dimethoxy-[1,1'-biphenylj-2,2'-diyl)-bis(oxy))bis(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane) modified rhodium complexes molecularly adsorbed onto porous silica powder show surprisingly high activity and regioselectivity in the gas-phase hydroformylation of propene to but-anal, with no sign of deactivation. Operando IR investigations combined with density functional theory calculations confirm a side reaction: the aldol condensation of the butanal products. These heavier by-products accumulate inside the pores of the catalytic material. IR and gas chromatography show a direct relation between formation of enones, products of the aldol condensation, performance, and stability of the catalytic system. This demonstrates that the aldol condensation products generated in situ act as a solvent providing an ideal environment to the impregnated homogeneous catalyst. (c) 2014 Elsevier Inc. All rights reserved.
    Journal of Catalysis 01/2015; 321. DOI:10.1016/j.jcat.2014.10.019 · 6.92 Impact Factor
  • Matthias Kusche · Karen Bustillo · Friederike Agel · Peter Wasserscheid
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    ABSTRACT: Herein, we describe an economical and convenient method to improve the performance of Pt/alumina catalysts for the water–gas shift reaction through surface modification of the catalysts with alkali hydroxides according to the solid catalyst with ionic liquid layer approach. The results are in agreement with our findings reported earlier for methanol steam reforming. This report indicates that alkali doping of the catalyst plays an important role in the observed catalyst activation. In addition, the basic and hygroscopic nature of the salt coating contributes to a significant improvement in the performance of the catalyst. During the reaction, a partly liquid film of alkali hydroxide forms on the alumina surface, which increases the availability of H2O at the catalytically active sites. Kinetic studies reveal a negligible effect of the KOH coating on the rate dependence of CO and H2O partial pressures. TEM studies indicate an agglomeration of the active Pt clusters during catalyst preparation; restructuring of Pt nanoparticles occurs under reaction conditions, which leads to a highly active and stable system over 240 h time on stream. Excessive pore fillings with KOH introduce a mass transfer barrier as indicated in a volcano-shaped curve of activity versus salt loading. The optimum KOH loading was found to be 7.5 wt %.
    ChemCatChem 01/2015; 7(5). DOI:10.1002/cctc.201402808 · 4.56 Impact Factor
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    ABSTRACT: Understanding the molecular-level behavior of ionic liquids (ILs) at IL-solid interfaces is of fundamental importance with respect to their application in, for example, electrochemical systems and electronic devices. Using a model system, consisting of an imidazolium-based IL ([C2Mim][NTf2]) in contact with a sapphire substrate, we have approached this problem using a complementary combination of high-resolution X-ray reflectivity measurements and atomistic molecular dynamics (MD) simulations. Our strategy enabled us to compare experimental and theoretically calculated reflectivities in a direct manner, thereby critically assessing the applicability of several force-field variants. On the other hand, using the best-matching MD description, we are able to describe the nature of the model IL-solid interface in appreciable detail. More specifically, we find that characteristic interactions between the surface hydroxyl groups and donor and acceptor sites on the IL constituents have a dominant role in inducing a multidimensional layering profile of the cations and anions.Keywords: IL−solid interface; atomistic molecular dynamics; surface characterization; liquid ordering; double layer
    Journal of Physical Chemistry Letters 01/2015; 6(3):549-555. DOI:10.1021/jz5024493 · 7.46 Impact Factor
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    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 single tube set-up and as Hydrogen Release Unit (HRU) with ten parallel reactors. The HRU realized in stationary operation a hydrogen release capacity of 1.75 kWtherm (960 Wel at subsequent fuel cell) with up to 1.12 gH2 min-1 gPt-1 and a power density of 3.84 kWel liter-1 of HRU reactor.
    Energy & Environmental Science 12/2014; 8(2). DOI:10.1039/C4EE03461A · 20.52 Impact Factor
  • Simon Walter · Marco Haumann · Hanna Hahn · Robert Franke · Peter Wasserscheid
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    ABSTRACT: A novel gas-phase process has been developed that allows direct two-step conversion of butane into pentanals with high activity and selectivity. The process consists of alkane dehydrogenation over a heterogeneous Cr/Al2O3 catalyst followed by direct gas-phase hydroformylation using advanced supported ionic liquid phase (SILP) catalysis. The latter step uses rhodium complexes modified with the diphosphite ligands biphephos (BP) and benzopinacol (BzP) to convert the butane/butene mixture from the dehydrogenation step efficiently into aldehydes. The use of the BP ligand results in improved yields of linear pentanal because SILP systems with this ligand are active for both isomerization and hydroformylation. © 2014 American Institute of Chemical Engineers AIChE J, 2014
    AIChE Journal 11/2014; 61(3). DOI:10.1002/aic.14676 · 2.75 Impact Factor
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    ABSTRACT: We report novel supported ionic liquid (IL) phase systems, described as inverse SILPs, consisting of micron size IL droplets within an envelope of silica nanoparticles. These novel IL-in-air powders, produced by an easily scalable phase inversion process, are stable up to 60 degrees C and 30 bar and are proposed as a means to confront the major drawbacks of conventional SILPs for gas separation. SILPs are usually formed by filling the channels of nanoporous materials with the IL phase. In case the core space of the pores remains open, such conventional SILPs exhibit lack of gas absorption specificity, while complete pore filling leads to diffusivity that is very low compared to that for corresponding bulk ILs; the latter drop is largely due to the high tortuosity of the pore network of the support. The inverse SILPs prepared in this work exhibited promising CO2/N-2 separation performance that had reached the value of 20 at absorption equilibrium and enhanced CO2 absorption capacity of 1.5(3) mmol g(1) at 1 bar and 40 degrees C. Moreover, the CO2 absorption kinetics were very fast compared to conventional SILP systems and to simultaneous N-2 absorption; the CO2/N-2 selectivity at the short times of the transient stage of absorption had reached values in excess of 200.
    The Journal of Physical Chemistry C 10/2014; 118(42):24437-24451. DOI:10.1021/jp5062946 · 4.77 Impact Factor
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    ABSTRACT: Ein Ansatz, Energie chemisch zu speichern, sind flüssige organische Wasserstoffträger. Die Oberflächenforschung leistet Beiträge zum mechanistischen Verständnis der katalytischen Wasserstofffreisetzung und zieht Schlussfolgerungen für die praktische Anwendung solcher Techniken.
    Nachrichten aus der Chemie 10/2014; 62(10). DOI:10.1002/nadc.201490355 · 0.20 Impact Factor

Publication Stats

9k Citations
1,453.51 Total Impact Points


  • 1970–2015
    • Friedrich-Alexander Universität Erlangen-Nürnberg
      • • Department of Chemical and Bioengineering
      • • Institute of Law and Technology
      • • Lehrstuhl für Technische Elektronik
      Erlangen, Bavaria, Germany
  • 2005–2014
    • Universitätsklinikum Erlangen
      Erlangen, Bavaria, Germany
  • 2010
    • University of Rostock
      Rostock, Mecklenburg-Vorpommern, Germany
  • 2009
    • BASF SE
      Ludwigshafen, Rheinland-Pfalz, Germany
  • 2008
    • Graz University of Technology
      • Institute of Chemical Engineering and Environmental Technology
      Gratz, Styria, Austria
  • 2004
    • French National Centre for Scientific Research
      Lutetia Parisorum, Île-de-France, France
  • 2003
    • University of Mobile
      Mobile, Alabama, United States
    • Queen's University Belfast
      Béal Feirste, Northern Ireland, United Kingdom
  • 2000–2003
    • RWTH Aachen University
      • • Institute of Physical Chemistry
      • • Institute for Technical und Macromolecular Chemistry
      Aachen, North Rhine-Westphalia, Germany
    • Fachhochschule Aachen
      Aachen, North Rhine-Westphalia, Germany