EXC 236:  Maßgeschneiderte Kraftstoffe aus Biomasse

• Fachliche Zuordnung: Strömungsmechanik, Technische Thermodynamik und Thermische Energietechnik ; Verfahrenstechnik, Technische Chemie
• Förderung: Förderung von 2007 bis 2018
• Projektkennung: Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 39030946

• Erstellungsjahr: 2020

Zusammenfassung der Projektergebnisse

Der TMFB wurde 2007 als neues Forschungsgebiet an der RWTH Aachen auf Grundlage der besonderen fachlichen Kompetenzen in Chemie, Bio- und Chemieingenieurwesen sowie Verbrennungstechnik mit Forschern der naturwissenschaftlichen Fakultät, der Fakultät für Maschinenbau sowie mit Partnern des Fraunhofer-Instituts für Molekularbiologie und Angewandte Ökologie (Aachen) und des Max-Planck-Instituts für Kohlenforschung (Mühlheim) gegründet. Der integrierte, interdisziplinäre Ansatz des TMFB definiert ein einzigartiges Profil unter der schnell wachsenden Anzahl von internationalen Forschungsaktivitäten, die sich auf die Umwandlung von Biomasse sowie auf die Verbrennung konzentrieren. Die Ziele des TMFB in der ersten Phase waren die Etablierung eines breiten Spektrums experimenteller und numerischer Methoden, um den Kraftstoffdesign-Prozess zu ermöglichen, die Generierung hochwertiger Daten und Informationen zur Validierung der Konzepte und die Umsetzung wissenschaftlicher und organisatorischer Maßnahmen zur Integration der Biokraftstoffproduktions- und Verbrennungsforschung zur Identifizierung neuer Kraftstoffkandidaten. Die Ergebnisse zeigen eindrucksvoll das Potenzial des interdisziplinären Ansatzes und führen zu den folgenden Schlussfolgerungen: (1) mittelgroße sauerstoffhaltige Moleküle liefern vielversprechende Kraftstoffkomponenten, und ihre molekulare Vielfalt kann in einem modellgestützten Kraftstoffdesignprozess genutzt werden; (2) neue selektive (bio-)chemische Umwandlungsverfahren der lignocellulosehaltigen Biomasse können für die Synthese solcher Zielstrukturen aus Cellulose und Hemicellulose entwickelt werden; (3) die Verbrennung dieser Brennstoffe ist nahezu frei von Ruß- und Stickoxidemissionen und der Wirkungsgrad insbesondere bei Fremdzündung kann deutlich gesteigert werden; (4) neue Verfahren zur konzeptionellen Prozessgestaltung und Bewertung alternativer Produktionswege belegen das Potenzial für eine positive Gesamtenergiebilanz. Mit der Etablierung und Validierung der neuen Methoden und der Integration des kollaborativen Netzwerks gewann der wissenschaftliche Fortschritt an Dynamik, was zu über 550 Peer-Review- Publikationen führte, darunter auch kollaborative Arbeiten in hochrangigen Zeitschriften. Die Vorreiterrolle des Clusters wird auch durch mehr als 100 geladene Keynote- und Plenarvorträge speziell zum TMFB-Ansatz auf hochrangigen internationalen Konferenzen sowie durch die vom TMFB ins Leben gerufene „International Conference on Fuel Science“ bestätigt, die jedes Jahr über 150 internationale Experten aus Industrie und Forschungseinrichtungen anzieht. Forscher in verschiedenen Phasen ihres Forschungsaufenthaltes erhielten hochkarätige Auszeichnungen und Stipendien, darunter die Alexander-von-Humboldt-Professur, die Robert- Bosch-Juniorprofessur, den Sofia-Kovalevskaya-Preis der Alexander von Humboldt-Stiftung und den Wöhler-Preis der Deutschen Chemischen Gesellschaft.

Link zum Abschlussbericht

https://doi.org/10.2314/KXP:1742747744

Projektbezogene Publikationen (Auswahl)

• (2008): Depolymerization of Cellulose Using Solid Catalysts in Ionic Liquids. In: Angew. Chem. 120 (42), S. 8167–8170
  Rinaldi, Roberto; Palkovits, Regina; Schüth, Ferdi
  
• (2008): Quantum mechanically based estimation of perturbed-chain polar statistical associating fluid theory parameters for analyzing their physical significance and predicting properties. In: The journal of physical chemistry. B 112 (18), S. 5693–5701
  van Nhu, Nguyen; Singh, Mahendra; Leonhard, Kai
  
• (2009): Acid hydrolysis of cellulose as the entry point into biorefinery schemes. In: ChemSusChem 2 (12), S. 1096–1107
  Rinaldi, Roberto; Schüth, Ferdi
  
• (2009): Design of solid catalysts for the conversion of biomass. In: Energy Environ. Sci. 2 (6), S. 610–626
  Rinaldi, Roberto; Schüth, Ferdi
  
• (2009): Investigations of Clustred Diesel Jets under Quiescent High-Pressure and High- Temperature Conditions using Mie, Schlieren and Chemiluminescence Imaging. In: SAE Int. J. Engines 2 (2), S. 272–286
  Cárdenas, Maria; Hottenbach, Peter; Kneer, Reinhold; Grünefeld, Gerd
  
• (2009): Prediction of multicomponent mutual diffusion in liquids: Model discrimination using NMR data. In: Fluid Phase Equilibria 278 (1-2), S. 27–35
  Bardow, André; Kriesten, Ernesto; Voda, Mihai Adrian; Casanova, Federico; Blümich, Bernhard; Marquardt, Wolfgang
  
• Laminar Burning Velocities of Dimethyl Ether, n-Heptane and iso-Octane at High Pressure
  Beeckmann, J.; Keppner, J.; Glatz, T.; Peters, N.
  
• Numerical Investigation of Laminar Burning Velocities of High Octane Fuel Blends Containing Ethanol
  Röhl, O.; Jerzembeck, S.; Beeckmann, J.; Peters, N.
  
• (2010): An integrated catalytic approach to fermentable sugars from cellulose. In: ChemSusChem 3 (10), S. 1151–1153
  Rinaldi, Roberto; Engel, Philip; Büchs, Jochen; Spiess, Antje C.; Schüth, Ferdi
  
• (2010): Charakterisierung von Cellulasepräparationen mittels Streulicht. In: Chemie Ingenieur Technik 82 (1-2), S. 117–120
  Spiess, A. C.; Wulfhorst, H.; Jäger, G.; Ellinidou, E.; Büchs, J.
  
• (2010): Determination of ignition delay times of different hydrocarbons in a new high pressure shock tube. In: Shock Waves 20 (4), S. 307– 316
  Heufer, K. A.; Olivier, H.
  
• (2010): Enzymecatalyzed C–C bond formation using 2-methyltetrahydrofuran (2-MTHF) as (co)solvent: efficient and bio-based alternative to DMSO and MTBE. In: Green Chem. 12 (12), S. 2240
  Shanmuganathan, Saravanakumar; Natalia, Dessy; van den Wittenboer, Anne; Kohlmann, Christina; Greiner, Lasse; Domínguez de María, Pablo
  
• (2010): Hydrogenolysis of cellulose combining mineral acids and hydrogenation catalysts. In: Green Chem. 12 (6), S. 972
  Palkovits, Regina; Tajvidi, Kameh; Procelewska, Joanna; Rinaldi, Roberto; Ruppert, Agnieszka
  
• (2010): Katalytische Umsetzung von Cellobiose. In: Chemie Ingenieur Technik 82 (8), S. 1211–1214
  Liauw, M. A.; Winterle, S.
  
• (2010): Modelling cellulose solubilities in ionic liquids using COSMO-RS. In: Green Chem. 12 (12), S. 2172–2181
  Kahlen, Jens; Masuch, Kai; Leonhard, Kai
  
• (2010): On the mechanism of ruthenium-catalyzed formation of hydrogen from alcohols: a DFT study. In: Chemistry (Weinheim an der Bergstrasse, Germany) 16 (45), S. 13487– 13499
  Johansson, Adam Johannes; Zuidema, Erik; Bolm, Carsten
  
• (2010): Optical and Thermodynamic Investigations of Reference Fuels for Future Combustion Systems. In: SAE Int. J. Fuels Lubr. 3 (2), S. 819–838
  Hottenbach, Peter; Brands, Thorsten; Grünefeld, Gerd; Janssen, Andreas; Muether, Martin; Pischinger, Stefan
  
• (2010): Pentenoic acid pathways for cellulosic biofuels. In: Angewandte Chemie (International ed. in English) 49 (26), S. 4336–4338
  Palkovits, Regina
  
• (2010): Point by point analysis: how ionic liquid affects the enzymatic hydrolysis of native and modified cellulose. In: Green Chem. 12 (11), S. 1959
  Engel, Philip; Mladenov, Radoslav; Wulfhorst, Helene; Jäger, Gernot; Spiess, Antje C.
  
• (2010): Potential of Cellulose-Derived Biofuels for Soot Free Diesel Combustion. In: SAE Int. J. Fuels Lubr. 3 (1), S. 70–84
  Janssen, Andreas; Pischinger, Stefan; Muether, Martin
  
• (2010): Salt-assisted organic-acid-catalyzed depolymerization of cellulose. In: Green Chem. 12 (10), S. 1844
  vom Stein, Thorsten; Grande, Philipp; Sibilla, Fabrizio; Commandeur, Ulrich; Fischer, Rainer; Leitner, Walter; Domínguez de María, Pablo
  
• (2010): Screening of new solvents for artemisininextraction process using ab initio methodology. In: Green Chem. 12 (2), S. 241–251
  Lapkin, Alexei A.; Peters, Martina; Greiner, Lasse; Chemat, Smain; Leonhard, Kai; Liauw, Marcel A.; Leitner, Walter
  
• (2010): Selective and Flexible Transformation of Biomass-Derived Platform Chemicals by a Multifunctional Catalytic System. In: Angew. Chem. 122 (32), S. 5642–5646
  Geilen, Frank M. A.; Engendahl, Barthel; Harwardt, Andreas; Marquardt, Wolfgang; Klankermayer, Jürgen; Leitner, Walter
  
• (2010): Selective hydrogenation of biomass derived substrates using ionic liquid-stabilized ruthenium nanoparticles. In: Green Chem. 12 (9), S. 1634
  Julis, Jennifer; Hölscher, Markus; Leitner, Walter
  
• (2010): The biorenewables opportunity - toward next generation process and product systems. In: AIChE J.
  Marquardt, Wolfgang; Harwardt, Andreas; Hechinger, Manuel; Kraemer, Korbinian; Viell, Joern; Voll, Anna
  
• A Reduced Kinetic Reaction Mechanism for the Autoignition of Dimethyl Ether
  Beeckmann, Joachim; Cai, Liming; Röhl, Olaf; Pitsch, Heinz; Peters, Norbert
  
• (2011): Asymptotic analysis of homogeneous isotropic decaying turbulence with unknown initial conditions. In: Journal of Turbulence 12, N30
  Schaefer, P.; Gampert, M.; Goebbert, J. H.; Gauding, M.; Peters, N.
  
• (2011): Cellulose-based sustainable polymers: state of the art and future trends. In: Macromolecular rapid communications 32 (17), S. 1299–1311
  Rose, Marcus; Palkovits, Regina
  
• (2011): Continuous flow organometallic catalysis: new wind in old sails. In: Chemical communications (Cambridge, England) 47 (13), S. 3691–3701
  Hintermair, Ulrich; Franciò, Giancarlo; Leitner, Walter
  
• (2011): Disintegration and dissolution kinetics of wood chips in ionic liquids. In: Holzforschung 65 (4)
  Viell, Jörn; Marquardt, Wolfgang
  
• (2011): Fick diffusion coefficients of liquid mixtures directly obtained from equilibrium molecular dynamics. In: The journal of physical chemistry. B 115 (44), S. 12921–12929
  Liu, Xin; Schnell, Sondre K.; Simon, Jean-Marc; Bedeaux, Dick; Kjelstrup, Signe; Bardow, André; Vlugt, Thijs J. H.
  
• (2011): From biomass to feedstock: one-step fractionation of lignocellulose components by the selective organic acid-catalyzed depolymerization of hemicellulose in a biphasic system. In: Green Chem. 13 (7), S. 1772–1777
  vom Stein, Thorsten; Grande, Philipp M.; Kayser, Henning; Sibilla, Fabrizio; Leitner, Walter; Domínguez de María, Pablo
  
• (2011): Highly Selective Decarbonylation of 5-(Hydroxymethyl)furfural in the Presence of Compressed Carbon Dioxide. In: Angew. Chem. 123 (30), S. 6963–6966
  Geilen, Frank M. A.; vom Stein, Thorsten; Engendahl, Barthel; Winterle, Sonja; Liauw, Marcel A.; Klankermayer, Jürgen; Leitner, Walter
  
• (2011): Impact Of Physical Properties On Primary Breakup For A Diesel Nozzle Configuration. In: Atomiz Spr 21 (3), S. 221–235
  Reddemann, Manuel Armin; Mathieu, F.; Martin, D.; Kneer, R.
  
• (2011): Nanocompartments with a pH release system based on an engineered OmpF channel protein. In: Soft Matter 7 (2), S. 532–539
  Ihle, Saskia; Onaca, Ozana; Rigler, Per; Hauer, Bernhard; Rodríguez-Ropero, Francisco; Fioroni, Marco; Schwaneberg, Ulrich
  
• (2011): Role of peroxy chemistry in the high-pressure ignition of n-butanol – Experiments and detailed kinetic modelling. In: Combustion and Flame 158 (8), S. 1444–1455
  Vranckx, S.; Heufer, K. A.; Lee, C.; Olivier, H.; Schill, L.; Kopp, W. A. et al.
  
• (2011): Scandium alkyl and amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure and ring-opening polymerization activity toward lactide monomers. In: Dalton transactions (Cambridge, England : 2003) 40 (30), S. 7748–7754
  Buffet, Jean-Charles; Okuda, Jun
  
• (2011): Screening of cellulases for biofuel production: online monitoring of the enzymatic hydrolysis of insoluble cellulose using highthroughput scattered light detection. In: Biotechnology journal 6 (1), S. 74–85.
  Jäger, Gernot; Wulfhorst, Helene; Zeithammel, Erik U.; Elinidou, Efthimia; Spiess, Antje C.; Büchs, Jochen
  
• (2011): Selective homogeneous hydrogenation of biogenic carboxylic acids with Ru(TriPhos)H+: a mechanistic study. In: Journal of the American Chemical Society 133 (36), S. 14349–14358
  Geilen, Frank M. A.; Engendahl, Barthel; Hölscher, Markus; Klankermayer, Jürgen; Leitner, Walter
  
• (2011): Separation of butanol from acetone–butanol–ethanol fermentation by a hybrid extraction–distillation process. In: Computers & Chemical Engineering 35 (5), S. 949–963
  Kraemer, Korbinian; Harwardt, Andreas; Bronneberg, Rob; Marquardt, Wolfgang
  
• (2011): Shock tube investigations of ignition delays of n-butanol at elevated pressures between 770 and 1250K. In: Proceedings of the Combustion Institute 33 (1), S. 359–366
  Heufer, K. A.; Fernandes, R. X.; Olivier, H.; Beeckmann, J.; Röhl, O.; Peters, N.
  
• (2011): Tailor-Made Fuels from Biomass for Homogeneous Low-Temperature Diesel Combustion. In: Energy Fuels 25 (10), S. 4734–4744
  Janssen, Andreas J.; Kremer, Florian W.; Baron, Jan H.; Muether, Martin; Pischinger, Stefan; Klankermayer, Juergen
  
• (2011): The allylcalcium monocation: a bridging allyl ligand with a non-bent coordination geometry. In: Angewandte Chemie (International ed. in English) 50 (25), S. 5753– 5756
  Lichtenberg, Crispin; Jochmann, Phillip; Spaniol, Thomas P.; Okuda, Jun
  
• (2011): The secondary splitting of zero-gradient points in a scalar field. In: J Eng Math 71 (1), S. 81–95
  Schaefer, P.; Gampert, M.; Gauding, M.; Peters, N.; Treviño, C.
  
• Numerical Assessment of Emission Sources for a Modified Diesel Engine Running in PCCI Mode on a Mixture of Gasoline and Diesel
  Kerschgens, Bruno; Vanegas, Anyelo; Pitsch, Heinz
  
• (2012): Analysis of the Effect of Bio-Fuels on the Combustion in a Downsized DI SI Engine. In: SAE Int. J. Fuels Lubr. 5 (1), S. 274–288
  Thewes, Matthias; Muther, Martin; Brassat, Adrien; Pischinger, Stefan; Sehr, Andreas
  
• (2012): Biotests for hazard assessment of biofuel fermentation. In: Energy Environ. Sci. 5 (12), S. 9778
  Heger, Sebastian; Bluhm, Kerstin; Agler, Matthew T.; Maletz, Sibylle; Schäffer, Andreas; Seiler, Thomas-Benjamin et al.
  
• (2012): Hydrogenolysis goes bio: from carbohydrates and sugar alcohols to platform chemicals. In: Angewandte Chemie (International ed. in English) 51 (11), S. 2564–2601
  Ruppert, Agnieszka M.; Weinberg, Kamil; Palkovits, Regina
  
• (2012): Reaction network flux analysis: Optimization-based evaluation of reaction pathways for biorenewables processing. In: AIChE J. 58 (6), S. 1788–1801
  Voll, A.; Marquardt, W.
  
• (2012): Solvent-free catalytic depolymerization of cellulose to water-soluble oligosaccharides. In: ChemSusChem 5 (8), S. 1449–1454
  Meine, Niklas; Rinaldi, Roberto; Schüth, Ferdi
  
• (2012): Toxicological and ecotoxicological potencies of biofuels used for the transport sector—a literature review. In: Energy Environ. Sci. 5 (6), S. 7381
  Bluhm, Kerstin; Heger, Sebastian; Seiler, Thomas-Benjamin; Hallare, Arnold V.; Schäffer, Andreas; Hollert, Henner
  
• (2013): An accurate moving boundary formulation in cut-cell methods. In: Journal of Computational Physics 235, S. 786–809
  Schneiders, Lennart; Hartmann, Daniel; Meinke, Matthias; Schröder, Wolfgang
  
• (2013): Carbon Dioxide as a C 1 Building Block for the Formation of Carboxylic Acids by Formal Catalytic Hydrocarboxylation. In: Angew. Chem. 125 (46), S. 12341–12345
  Ostapowicz, Thomas G.; Schmitz, Marc; Krystof, Monika; Klankermayer, Jürgen; Leitner, Walter
  
• (2013): Optimization of Diesel Combustion and Emissions with Tailor-Made Fuels from Biomass. In: SAE Int. J. Fuels Lubr. 6 (3), S. 922–934
  Heuser, Benedikt; Kremer, Florian; Pischinger, Stefan; Klankermayer, Jürgen
  
• (2013): Set of Acidic Resin Catalysts To Correlate Structure and Reactivity in Fructose Conversion to 5-Hydroxymethylfurfural. In: ACS Catal. 3 (2), S. 123–127
  Richter, Felix H.; Pupovac, Kristina; Palkovits, Regina; Schüth, Ferdi
  
• (2013): Transmitted light microscopy for visualizing the turbulent primary breakup of a microscale liquid jet. In: Exp Fluids 54 (11)
  Reddemann, Manuel A.; Mathieu, Florian; Kneer, Reinhold
  
• Optimization of Diesel Combustion and Emissions with Newly Derived Biogenic Alcohols
  Heuser, Benedikt; Kremer, Florian; Pischinger, Stefan; Julis, Jennifer; Leitner, Walter
  
• (2014): Bifunctional nanoparticle–SILP catalysts (NPs@SILP) for the selective deoxygenation of biomass substrates. In: Chemical science 5 (12), S. 4895–4905
  Luska, Kylie L.; Julis, Jennifer; Stavitski, Eli; Zakharov, Dmitri N.; Adams, Alina; Leitner, Walter
  
• (2014): Cellulose and hemicellulose valorisation: an integrated challenge of catalysis and reaction engineering. In: Energy Environ. Sci. 7 (9), S. 2803
  Delidovich, I.; Leonhard, K.; Palkovits, R.
  
• (2014): Platinum-cobalt bimetallic nanoparticles in hollow carbon nanospheres for hydrogenolysis of 5-hydroxymethylfurfural. In: Nature materials 13 (3), S. 293–300
  Wang, G. H.; Hilgert, J.; Herrmann Richter, F.; Wang, F.; Bongard, H. J.; Spliethoff, B. et al.
  
• (2014): Ruthenium-Catalyzed Reductive Methylation of Imines Using Carbon Dioxide and Molecular Hydrogen. In: Angew. Chem. 126 (41), S. 11190– 11194
  Beydoun, Kassem; Ghattas, Ghazi; Thenert, Katharina; Klankermayer, Jürgen; Leitner, Walter
  
• (2014): Time-gated ballistic imaging using a large aperture switching beam. In: Optics express 22 (6), S. 7058–7074
  Mathieu, Florian; Reddemann, Manuel A.; Palmer, Johannes; Kneer, Reinhold
  
• (2015): A Comparison of the Microbial Production and Combustion Characteristics of Three Alcohol Biofuels: Ethanol, 1-Butanol, and 1-Octanol. In: Frontiers in bioengineering and biotechnology 3, S. 112
  Kremer, Florian; Blank, Lars M.; Jones, Patrik R.; Akhtar, M. Kalim
  
• (2015): Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations. In: J. Chem. Theory Comput. 11 (6), S. 2517–2524
  Döntgen, Malte; Przybylski-Freund, Marie-Dominique; Kröger, Leif C.; Kopp, Wassja A.; Ismail, Ahmed E.; Leonhard, Kai
  
• (2015): Basecatalysed cleavage of lignin β-O-4 model compounds in dimethyl carbonate. In: Green Chem. 17 (11), S. 4908–4912
  Dabral, Saumya; Mottweiler, Jakob; Rinesch, Torsten; Bolm, Carsten
  
• (2015): Combustion and emission behavior of linear C8- oxygenates. In: International Journal of Engine Research 16 (5), S. 627–638
  Heuser, Benedikt; Mauermann, Peter; Wankhade, Rajendra; Kremer, Florian; Pischinger, Stefan
  
• (2015): Copper- and Vanadium-Catalyzed Oxidative Cleavage of Lignin using Dioxygen. In: ChemSusChem 8 (12), S. 2106–2113
  Mottweiler, Jakob; Puche, Marta; Räuber, Christoph; Schmidt, Thomas; Concepción, Patricia; Corma, Avelino; Bolm, Carsten
  
• (2015): Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium-Triphos catalyst: from mechanistic investigations to multiphase catalysis. In: Chemical science 6 (1), S. 693–704
  Wesselbaum, Sebastian; Moha, Verena; Meuresch, Markus; Brosinski, Sandra; Thenert, Katharina M.; Kothe, Jens et al.
  
• (2015): Ignition characteristics of a bio-derived class of saturated and unsaturated furans for engine applications. In: Proceedings of the Combustion Institute 35 (3), S. 2957–2965
  Sudholt, Alena; Cai, Liming; Heyne, Joshua; Haas, Francis M.; Pitsch, Heinz; Dryer, Frederick L.
  
• (2015): Iron-catalysed oxidative cleavage of lignin and β-O-4 lignin model compounds with peroxides in DMSO. In: Green Chem. 17 (11), S. 5001–5008
  Mottweiler, Jakob; Rinesch, Torsten; Besson, Claire; Buendia, Julien; Bolm, Carsten
  
• (2015): Ruthenium- Lignin Model Substrates. In: Angew. Chem. 127 (20), S. 5957–5961
  vom Stein, Thorsten; den Hartog, Tim; Buendia, Julien; Stoychev, Spas; Mottweiler, Jakob; Bolm, Carsten et al.
  
• (2015): Tailor-Made Fuels from Biomass: Potentials of 2- butanone and 2-methylfuran in direct injection spark ignition engines. In: Fuel 167
  Hoppe, Fabian; Burke, Ultan; Thewes, Matthias; Heufer, Alexander; Kremer, Florian; Pischinger, Stefan
  
• (2015): Theoretical Investigation of Intramolecular Hydrogen Shift Reactions in 3-Methyltetrahydrofuran (3-MTHF) Oxidation. In: J. Phys. Chem. A 119 (44), S. 10917–10928
  Parab, Prajakta R.; Sakade, Naoki; Sakai, Yasuyuki; Fernandes, Ravi; Heufer, K. Alexander
  
• (2016): A comprehensive experimental and kinetic modeling study of butanone. In: Combustion and Flame 168, S. 296–309
  Burke, Ultan; Beeckmann, Joachim; Kopp, Wassja A.; Uygun, Yasar; Olivier, Herbert; Leonhard, Kai et al.
  
• (2016): Acute embryo toxicity and teratogenicity of three potential biofuels also used as flavor or solvent. In: The Science of the total environment 566-567, S. 786–795
  Bluhm, Kerstin; Seiler, Thomas-Benjamin; Anders, Nico; Klankermayer, Jürgen; Schaeffer, Andreas; Hollert, Henner
  
• (2016): An efficient conservative cut-cell method for rigid bodies interacting with viscous compressible flows. In: Journal of Computational Physics 311
  Schneiders, Lennart; Günther, Claudia; Meinke, Matthias; Schröder, Wolfgang
  
• (2016): An updated experimental and kinetic modeling study of n-heptane oxidation. In: Combustion and Flame 172
  Zhang, Kuiwen; Banyon, Colin; Bugler, John; Curran, H. J.; Rodriguez, Anne; Herbinet, Olivier et al.
  
• (2016): Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins. In: Journal of the American Chemical Society 138 (1), S. 433–443
  Rohmann, Kai; Hölscher, Markus; Leitner, Walter
  
• (2016): Earlystage evaluation of biorefinery processing pathways using process network flux analysis. In: AIChE J. 62 (9), S. 3096–3108
  Ulonska, Kirsten; Skiborowski, Mirko; Mitsos, Alexander; Viell, Jörn
  
• (2016): Genetic and biochemical insights into the itaconate pathway of Ustilago maydis enable enhanced production. In: Metabolic engineering 38, S. 427–435
  Geiser, Elena; Przybilla, Sandra K.; Engel, Meike; Kleineberg, Wiebke; Büttner, Linda; Sarikaya, Eda et al.
  
• (2016): Hydrodynamic instability and shear layer effects in turbulent premixed combustion. In: Physics of Fluids 28
  Schlimpert, Stephan; Feldhusen, Antje; Heribert Grimmen, Jerry; Roidl, Benedikt; Meinke, Matthias; Schröder, Wolfgang
  
• (2016): Ignition characteristics of saturated and unsaturated furans. In: Combustion and Flame 171, S. 133–136
  Sudholt, Alena; Lee, Changyoul; Klankermayer, Jürgen; Fernandes, Ravi X.; Pitsch, Heinz
  
• (2016): Influence of fuel properties on fundamental spray characteristics and soot emissions using different tailor-made fuels from biomass. In: Energy Conversion and Management 108, S. 243–254
  Antonio, Garcia; Monsalve-Serrano, Javier; Heuser, Benedikt; Jakob, Markus; Kremer, Florian; Pischinger, Stefan
  
• (2016): Mechanism-specific and whole-organism ecotoxicity of mono-rhamnolipids. In: The Science of the total environment 548-549, S. 155–163
  Johann, Sarah; Seiler, Thomas-Benjamin; Tiso, Till; Bluhm, Kerstin; Blank, Lars M.; Hollert, Henner
  
• (2016): Nitrogen-Doped Ordered Mesoporous Carbon Supported Bimetallic PtCo Nanoparticles for Upgrading of Biophenolics. In: Angewandte Chemie (International ed. in English) 55 (31), S. 8850–8855
  Wang, Guang-Hui; Cao, Zhengwen; Gu, Dong; Pfänder, Norbert; Swertz, Ann- Christin; Spliethoff, Bernd et al.
  
• (2016): Nonlinear analysis of an acoustically excited laminar premixed flame. In: Combustion and Flame 163, S. 337–357
  Schlimpert, Stephan; Meinke, Matthias; Schröder, Wolfgang
  
• (2016): Ruthenium- Catalyzed Modular Synthesis of Cyclic Tertiary Amines from Lactams. In: Angewandte Chemie (International ed. in English) 55 (41), S. 12841–12844
  Westhues, Stefan; Meuresch, Markus; Klankermayer, Jürgen
  
• (2016): Ruthenium-Catalyzed Synthesis of Dialkoxymethane Ethers Utilizing Carbon Dioxide and Molecular Hydrogen. In: Angew. Chem. 128 (40), S. 12454–12457
  Thenert, Katharina; Beydoun, Kassem; Wiesenthal, Jan; Leitner, Walter; Klankermayer, Jürgen
  
• (2016): Temperature measurements of micro-droplets using pulsed 2-color laser-induced fluorescence with MDR-enhanced energy transfer. In: Experiments in Fluids 57
  Palmer, Johannes; Reddemann, Manuel; Kirsch, Valeri; Kneer, Reinhold
  
• (2016): The Oxidation Potential Number: An Index to Evaluate Inherent Soot Reduction in D.I. Diesel Spray Plumes. In: SAE Int. J. Engines 9 (1), S. 222–236
  Graziano, Barbara; Heuser, Benedikt; Kremer, Florian; Pischinger, Stefan; Rohs, Hans
  
• Computer-Aided Molecular Design by Combining Genetic Algorithms and COSMO-RS 38, S. 115–120
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