Forschungsbericht 2009



V-2 Chemische Reaktionstechnik

Logo Eißendorfer Str. 38
21073 Hamburg

Tel.: 040 / 42878 - 3042
Fax: 040 / 42878 - 2145

e-mail: keil@tu-harburg.de
www: http://www.vt4.tu-harburg.de

Professoren

Prof.Dr.Dr.h.c. Frerich Keil (Leitung) (TUHH)
   

Sekretariat

Hermine Oppelaar (TUHH)
   

wissenschaftliche Mitarbeiter/innen

Dr. rer. nat. Achim Bartsch (TUHH)
Dipl. Ing. Klaus Mandel (TUHH)
Dipl.-Ing. Niels Hansen (DFG)
Dipl.-Ing. Till Brüggemann (TUHH)
Dipl.-Ing. Diana Khashimova (DAAD)
M. Sc. Nils Zimmermann (DFG)
M. Sc. Kobiljon Kholmatov (DAAD)
Dr. Alexander Rudenko (TUHH)
Dr. Sven Jakobtorweihen (TUHH)
Dr. Diana Tranca (TUHH)
   

sonstige Mitarbeiter/innen

Christina Laarmann (TUHH)
   

Gäste

Nadica Bojkova (DAAD)
Jasna Georgievska (DAAD)
Ana Popovic (DAAD)
Dr. Mirjana Kostova (DAAD)
Prof. Dr. Boris Stefanov (DAAD)

 

Forschungsprojekte

 

Kooperationen

  • Bayer (Leverkusen)
  • Beiersdorf (Hamburg)
  • Cognis (Düsseldorf)
  • Daimler Chrysler (Stuttgart)
  • Lurgi (Frankfurt)
  • Solvay (Hannover)
  • Technical University Delft
  • Uhde (Dortmund)
  • University of Amsterdam
  • University of California in Berkeley
  • University of Cambridge (UK)
  • University of Chem. Technology, Sofia
  • University of Edinburgh
 

Publikationen

Veröffentlichungen

  • 6-05.008V

    F. Hartig, F. Keil, "A Modified Algorithm of Iterative Dynamic Programming", Hung. J. Ind. Chem. 21 (1993) 101-108

  • 6-05.025V

    F. Hartig, F. J. Keil, R. Luus, "Comparison of Optimization Methods for Fed-Batch Reactors", Hung. J. Ind. Chem. 23 (1995) 141-148

  • 6-05.018V

    F. Hartig, F. J. Keil, "Global Optimization of Quench Reactors By Iterative Dynamic Programming", Hung. J. Ind. Chem. 22 (1994) 233-238

  • 6-05.013V

    F. J. Keil, D. Schreiber, "Rekonstruktion der Porenradienverteilung von porösen Materialien aus Diffusionsmessungen", Chem.-Ing.-Tech. 66 (1994) 201-203

  • 6-05.017V

    H. Schönfelder, J. Hinderer, J. Werther, F. Keil, "Die Olefinsynthese aus Methanol (MTO) im Reaktor mit Zirkulierender Wirbelschicht", Chem.-Ing.-Tech. 66 (1994) 960-963

  • 6-05.011V

    F. J. Keil, C. Rieckmann, "Optimization of Catalyst Pore Struktures", Hung. J. Ind. Chem. 21 (1993) 277-286

  • 6-05.009V

    F. Keil, "Diffusion und chemische Reaktion in der Gas/Feststoff-Katalyse" Teil I, Chem. Tech. 45 (1993) 67-77

  • 6-05.010V

    F. Keil, "Diffusion und chemische Reaktion in der Gas/Feststoff-Katalyse" Teil IIa, Chem. Tech. 45 (1993) 437-447

  • 6-05.012V

    F. Keil, "Diffusion und chemische Reaktion in der Gas/Feststoff-Katalyse" Teil IIb, Chem. Tech. 46 (1994) 7-15

  • 6-05.015V

    F.J. Keil, C. Rieckmann, "Optimization of Three-Dimensional Catalyst Pore Structures", Chem. Eng. Sci. 49 (1994) 4811-4822

  • 6-05.014V

    H. Schönfelder, J. Hinderer, J. Werther, F.J. Keil, "Methanol To Olefins - Prediction of the Performance of a Circulating Fluidized-Bed Reactor on the Basis of Kinetic Esperiments in a Fixed-Bed Reactor", Chem. Eng. Sci. 49 (1994) 5377-5390

  • 6-05.016V

    H. Schönfelder, J. Werther, J. Hinderer, F. Keil, "A Multi-Stage Model for the Circulating Fluidized Bed Reactor", AIChE Sympos, 90 (1994) 92-104

  • 6-05.019V

    J. Hinderer, F.J. Keil, "Monte Carlo Calculations: Diffusion in Zeolites", Periodica Polytechnica Ser. Chem.-Eng. 38 (1994) 75-80

  • 6-05.020V

    F.J. Keil, H.-P. Detering, A Klein, "Modeling of Supported-Liquid-Phase Catalysts by Percolation Theory", Periodica Polytechnica Ser. Chem. Eng. 38 (1994) 99-103

  • 6-05.021V

    R. Luus, F. Hartig, F.J. Keil, "Optimal Drug Scheduling of Cancer Chemotherapy", Periodica Polytechnica Ser. Chem. Eng. 38 (1994) 105-109

  • 6-05.024V

    R. Luus, F. Hartig, F.J. Keil, "Optimal Drug Scheduling of Cancer Chemotherapy by Direct Search Optimization", Hung. J. Ind. Chem. 23 (1995) 55-58

  • 6-05.023V

    F.J. Keil, E. Chunova, S. Stoyanov, "Global Optimization Using Iterative Dynamic Programming", Proc. of the workshop "System-Modelling-Control", Zakopane 1 (1995) 405-410 (ISBN 83-902115-2-1)

  • 6-05.029V

    F. Hartig, F.J. Keil, V.V. Kafarov, "Optimizations of Complex Reactions by Mixed-Integer Iterative Dynamic Programming (MIDP)", Theoret. Found. Chem. Eng. 30 (1996) 50-60

  • 6-05.026V

    R. Luus, X. Zhang, F. Hartig, F.J. Keil, "Use of Piecewise Linear Continuous Optimal Control for Time-Delay Systems", Ind. Eng. Chem. Res. 34 (1995) 4136-4139

  • 6-05.027V

    F. Keil, S. Stoyanov, E. Chunova, "Fuzzy Models in Process Optimal Control", Hung. J. Ind. Chem. 23 (1995) 201-206

  • 6-05.028V

    J. Hinderer, F.J. Keil, "Diffusion and Reaction in Composite Catalysts", Hung. J. Ind. Chem. 23 (1995) 207-213

  • 6-05.030V

    J. Hinderer, F.J. Keil, "Three-Dimensional Monte Carlo Calculations of Diffusion and Reaction Phenomena in Zeolites", Chem. Eng. Sci. 51 (1996) 2667-2672

  • 6-05.032V

    F. Keil, "Application of Numerical Methods in Chemical Process Engineering", in: F. Keil, W. Mackens, H. Voß, J. Werther (Eds.), "Scientific Computing in Chemical Engineering", Springer Verlag, Heidelberg (1996) pp. 92-110

  • 6-05.031V

    F. Keil, "Modeling of Phenomena Inside Catalyst Particles", Chem. Eng. Sci. 51 (1996) 1543-1567

  • 6-05.034V

    F. Keil, S. Dähnke, "Numerische Berechnung der Druckfelder in sonochemischen Reaktoren", Chem.-Ing.-Techn. 68 (1996) 419-422

  • 6-05.039V

    F.J. Keil, S. Dähnke, "Numerical Calculation of Pressure Fields in Sonochemical Reactors, Linear Effects in Homogeneous Phase", Periodica Polytechnica Ser. Chem. Eng. 41 (1997) 41-55

  • 6-05.035V

    F.J. Keil, "Optimierung verfahrenstechnischer Prozesse", Chem.-Ing.-Techn. 68 (1996) 639-650

  • 6-05.036V

    C. Rieckmann, F.J. Keil, "Diffusion and Reaction in Three-dimensional Networks - General Kinetics", Hung. J. Ind. Chem. 24 (1996) 295-301

  • 6-05.040V

    F.J. Keil, S. Dähnke, "Numerical Calculation of Scale-Up Effects of Pressure Fields in Sonochemical Reactors - Homogeneous Phase", Hung. J. Ind. Chem. 25 (1997) 71-80

  • 6-05.037V

    F.J. Keil, S. Stoyanov, E. Chunova, "Optimization of a Ferrite Production by Fuzzy Iterative Dynamic Programming", Hung. J. Ind. Chem. 24 (1996) 309-314

  • 6-05.041V

    C. Rieckmann, F.J. Keil, "Multicomponent Diffusion and Reaction in Three-dimensional Networks - General Kinetics", Ind. Eng. Chem. Res. 36 (1997) 3275-3281

  • 6-05.038V

    F.J. Keil, "Multicomponent Diffusion and Reaction in Microporous Materials", Invited Keynote Lecture, CHISA, Prag 1996 (Proceedings) 225-231

  • 6-05.042V

    A.R. Garayhi, F.J. Keil, "Modellierung von Reaktionen mit Volumenänderung in Komposit-Katalysatorpellets am Beispiel der MTO-Synthese in ZSM-5 Zeolithkatalysatoren", Chem.-Ing.-Techn. 69 (1997) 980-984

  • 6-05.043V

    C. Rieckmann, T. Düren, F.J. Keil, "Interaction of Kinetics and Geometric Structure of Pore Networks in Catalyst Supports - A Percolation Theoretical Approach to Hydrodemetallation", Hung. J. Ind. Chem. 25 (1997) 137-145

  • 6-05.044V

    F. Fergg, F.J. Keil, "Modeling of Diffusion and Reaction Phenomena: Nitrate Reduction on a Bimetal Catalyst immobilized in Poly(Vinyl Alcohol)-Hydrogel", Hung. J. Ind. Chem. 25 (1997) 147-152

  • 6-05.045V

    A.R. Garayhi, F.J. Keil, "Multicomponent Diffusion and Reaction in Composite Catalysts - A Monte-Carlo and Dusty-Gas-Model Approach Applied to the Methanol-To-Olefin Synthesis in Zeolites", Periodica Polytechnica, Ser. Chem. Eng. 41 (1997) 57-72

  • 6-05.059V

    F.J. Keil, J. Hinderer, A.R. Garayhi, "Diffusion and Reaction in ZSM-5 and Composite Catalysts - A Monte-Carlo Approach Applied to the Methanol-To-Olefin Synthesis", Catalysis Today 50 (1999) 637-650

  • 6-05.047V

    C. Rieckmann, F.J. Keil, "Multicomponent Diffusion and Reaction in Three-dimensional Networks - Theoretical and Experimental Results for General Kinetics". Proceedings of "The First European Congress on Chemical Engineering" (ECCE 1), Florence, 4.-7. Mai 1997, 49-52

  • 6-05.051V

    A.R. Garayhi, U. Flügge-Hamann, F.J. Keil, "Modellierung von instationär betriebenen Membranreaktoren mit katalytisch aktiven Membranen für den Betrieb mit Flüssigkeiten", Chem.-Ing.-Techn. 70 (1998) 123-127

  • 6-05.052V

    A.R. Garayhi, U. Flügge-Hamann, F.J. Keil, "Modeling of Catalytic Membrane Reactors Operated with Liquids under Instationary Conditions", Chem. Eng. Technol. 21 (1998) 21-25

  • 6-05.046V

    F.J. Keil, J. Hinderer, A.R. Garayhi, "Diffusion and Reaction in ZSM-5 and Composite Catalysts - Methanol-To-Olefins" , Preprints of the Symposium "Advances and Applications of Computational Chemical Modeling to Heterogeneous Catalysis", Division of Petroleum Chemistry, Americal Chem. Soc. Meeting, San Francisco, April 13-17, 1997, Vol. 42 (1), pp. 84-86

  • 6-05.118V

    A. Heyden, A.T. Bell, F.J. Keil, "Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method", J. Chem. Phys. 123 (2005), 224201-1/14

  • 6-05.048V

    A.R. Garayhi, F.J. Keil, "Eine Laboranlage zur Untersuchung instationärer Vorgänge bei variablen Betriebszuständen", Preprints 3. Merseburger Fachtagung "Automatisierung, Meßmethoden und Experimente in der chemischen Reaktionstechnik", Merseburg, 6.-7. Nov. 1997, 177-184

  • 6-05.049V

    U. Flügge-Hamann, F.J. Keil, "Development of catalytic membranes and studies of using them in a catalytic membrane reactor demonstrated by the example of H2O2-catalysis", Proceedings of the ESF Network Catalytic Membrane Reactors, Applications and Future Possibilities of Catalytic Membrane Reactors, Turnhout, Oct. 16-17, 1997 (Belgium) 85-88

  • 6-05.050V

    J. Theis, D. Fritsch, F. Keil, "Catalysis with Non-Porous Membranes Loaded with Nanoscale Metallic Clusters", Proceedings of the ESF Network Catalytic Membrane Reactors, Applications and Future Possibilities of Catalytic Membrane Reactors, Turnhout, Oct. 16-17, 1997 (Belgium) 35-40

  • 6-05.053V

    S. Dähnke, F.J. Keil, "Modellierung von Schallfeldern in inhomogenen Kavitationsblasenfeldern als Grundlage zur Auslegung von sonochemischen Reaktoren", Chem.-Ing.-Techn. 70 (1998) 1300-1303

  • 6-05.054V

    S. Dähnke, F.J. Keil, "Modeling of Three-Dimensional Linear Pressure in Sonochemical Reactors with Homogeneous and Inhomogeneous Density Distributions of Cavitation Bubbles", Ind. Eng. Chem. Res. 37 (1998) 848-864

  • 6-05.055V

    F. Fergg, F.J. Keil, "Molecular Dynamics Calculations and Monte Carlo Simulation of Diffusivities in Aqueous Systems - Application to Nitrate Reduction on Bimetal Catalyst immobilized in Poly(vinyl alcohol)-Hydrogel", Computers Chem. Eng. 22 (1998) S611-S614

  • 6-05.056V

    V.V. Kafarov, V.N. Pisarenko, C.G. Dallos, F. Keil, L.A. Duarte, "Computer Aided Method for Construction of Kinetic Models of Chemical Reactions, Based on Application of Chebyshev-Hermite Polynomials", Computers Chem. Eng. 22 (1998) 663-666

  • 6-05.057V

    V.V. Kafarov, V.N. Pisarenko, C.G. Dallos, F. Keil, B. Mayorga, M. Nunez, "New Method for Computer Aided Analysis of Steady-State Multiplicity of Catalytic Processes", Computers Chem. Eng. 22 (1998) 659-662

  • 6-05.060V

    S.W. Dähnke, F.J. Keil, "Modeling of Linear Pressure Fields in Sonochemical Reactors of various Shapes considering an inhomogeneous Density Distribution of Cavitation Bubbles", Chem. Eng. Sci. 54 (1999) 2865-2872

  • 6-05.061V

    C. Rieckmann, F.J. Keil, "Simulation and Experiment of Multicomponent Diffusion and Reaction in Three-Dimensional Networks", Chem. Eng. Sci. 54 (1999) 3485-3493

  • 6-05.062V

    F. Keil, Review: "Methanol-To-Hydrocarbons: Process Technology", Microporous and Mesoporous Materials 29 (1999) 49-66

  • 6-05.063V

    A.R. Garayhi, F.J. Keil, "Simulation of the Non-Stationary Behaviour of Packed-Bed Reactors for the Determination of Kinetic Expressions in Consideration of an Inhomogeneous Concentration Profile in the Catalyst Pellets", Chem. Eng. Technol. 22 (1999) 417-420

  • 6-05.064V

    A.R. Garayhi, F.J. Keil, "Simulation des instationären Verhaltens von Festbettreaktoren zur Bestimmung kinetischer Gleichungen", Chem.-Ing.-Techn. 71 (1999) 230-233

  • 6-05.058V

    S. Dähnke, F. Keil, "Modeling of sound fields in liquids with an inhomogeneous distribution of cavitation bubbles as a basis for design of sonochemical reactors", Chem. Eng. Technol. 21 (1998) 873-877

  • 6-05.065V

    S. Dähnke, K.M. Swamy, F.J. Keil, "Modeling of three-dimensional pressure fields in sonochemical reactors with an inhomogeneous density distribution of cavitation bubbles - comparison of theoretical and experimental results", Ultrasonics Sonochemistry 6 (1999) 31-41

  • 6-05.066V

    S. Dähnke, K.M. Swamy, F.J. Keil, "A comparative study on the modeling of sound pressure field distributions in a sonoreactor with experimental investigation", Ultrasonics Sonochemistry 6 (1999) 221-226

  • 6-05.067V

    F.J. Keil, "Diffusion and Reaction in Porous Networks", Catalysis Today, 53 (1999) 243-256

  • 6-05.074V

    F. Hartig, K. Mandel, F.J. Keil, "Parallelization of Iterative Dynamic Programming", Periodica Polytech. Chem. Eng. 43 (2000) 3-16

  • 6-05.070V

    S. Dähnke, F.J. Keil, "Modeling of pressure fields in various environments including damping effects and change of wave velocity due to the emergence of cavitation bubbles", Scientific Computing in Chemical Engineering II, (SCCE II), Springer, Heidelberg, S. 208-216

  • 6-05.071V

    A. Garayhi, F.J. Keil, "Simulation of the non-stationary behaviour of fixed-bed reactors for the determination of kinetic expressions in consideration of inhomogeneous concentration prifiles inside the catalyst pellets", Scientific Computing in Chemical Engineering II (SCCE II), Springer, Heidelberg, 1999, S. 231-238

  • 6-05.072V

    X.-Y. Guo, F.J. Keil, "Monte Carlo simulation of diffusion within three-dimensional pores with irregular walls", Scientific Computing in Chemical Engineering II (SCCE II), Springer, Heidelberg, 1999, S. 82-89

  • 6-05.075V

    A.R. Garayhi, F.J. Keil, "Meßmethoden zur Untersuchung von chemischen Kinetiken unter instationären Bedingungen", Chem. Techn. (Leipzig) 52 (2000) 80-89

  • 6-05.068V

    F.J. Keil, K.M. Swamy, "Reactors for sonochemical engineering - present status", Rev. Chem. Eng. 15 (1999) 85-155

  • 6-05.077V

    X.-Y. Guo, F.J. Keil, "Kinetics of N2O catalytic decomposition over three-dimensional fractals", Chem. Phys. Lett. 330 (2000) 410-416

  • 6-05.128V

    B. Kniazev, F.J. Keil, "Modelling of vibrating bubble columns by CFD" (submitted)

  • 6-05.083V

    F. Fergg, F.J. Keil, "Diffusion and reactions of multicomponent electrolytes in poly(vinyl alcohol)-hydrogels - Modeling and experiment", Chem. Eng. Sci. 56 (2001) 1305-1315

  • 6-05.084V

    A. Garayhi, F.J. Keil, "Determination of Kinetic Expressions from the Frequency Response of a Catalytic Reactor - Theoretical and Experimental Investigations", Chem. Eng. Sci. 56 (2001) 1317-1325

  • 6-05.078V

    F. Keil, R. Krishna, M.-O. Coppens, "Modeling of diffusion in zeolites", Rev. Chem. Eng. 16 (2000) 71-197

  • 6-05.085V

    A. Garayhi, F.J. Keil, "Modeling of Microkinetics in Heterogeneous Catalysis by Means of Frequency Response Techniques", Chem. Eng. J. 82 (2001) 329-346

  • 6-05.079V

    T. Düren, F.J. Keil,"Molekulare Simulation von Adsorptionsvorgängen in Kohlenstoff-Nanoröhrchen", Chem.-Ing.-Tech. 72 (2000) 833-837

  • 6-05.080V

    K. Poplawski, J. Lichtenberger, F.J. Keil, K. Schnitzlein, H.D. Amiridis, "Catalytic Oxidation of 1,2-Dichlorobenzene over ABO3- Type Perovskites", Catalysis Today 69 (2000) 319-336

  • 6-05.108V

    F.J. Keil, M.-O. Coppens, "Dynamic Monte Carlo Simulations of Diffusion and Reaction in Zeolites" in: C.R.A.Catlow, R.A. van Santen, B. Smit (Eds.) "Computer Modelling of Microporous and Mesoporous Materials", Academic Press, 2004, pp. 109-127

  • 6-05.081V

    R. Krishna, M.I. Urseanu, J. Ellenberger, F.J. Keil, "Utilisation of bubble resonance phenomena to improve gas-liquid contacting", Naturwissenschaften 87 (2000) 455-459

  • 6-05.082V

    I. Michinev, S. Stoyanov, F.J. Keil, "Investigation and Modification of the Luus-Jaakola Global Optimization Algorithm", Hung. J. Ind. Chem. 28 (2000) 231-240

  • 6-05.069V

    F.J. Keil, W. Mackens, H. Voß, J. Werther (Eds.),

    "Scientific Computing in Chemical Engineering II" (2 Vols.), Springer, Heidelberg (1999)

  • 6-05.086V

    F.J. Keil, "Development of microkinetic expressions by instationary methods", Stud. Surf. Sci. Catal. 133 (2001) 41-55

  • 6-05.087V

    T. Düren, F.J. Keil, "Molecular Modeling of Adsorption in Carbon Nanotubes", Chem. Eng. Technol. 24 (2001) 698-702

  • 6-05.088V

    N.I. Koltsov, F.J. Keil, "Multiplicity of Steady-States in Catalytic Reaction Kinetics", Hung. J. Ind. Chem. 29 (2001) 27-34

  • 6-05.089V

    B.V. Alexeev, N.I. Koltsov, F.J. Keil, "Computer-Aided Design of Chemical Reaction Systems", Hung. J. Ind. Chem. 29 (2001) 81-86

  • 6-05.090V

    E.S. Patmar, B.V. Alexeev, N.I. Koltsov, F.J. Keil, "Estimation of the Number of Steady-States of One-Route Catalytic Reactions", Hung. J. Ind. Chem. 29 (2001) 87-90

  • 6-05.076V

    F. Fergg, F.J. Keil, H. Quader, "Investigations of the Microscopic Structure of Poly(vinyl alcohol) Hydrogels by Confocal-Laser-Scanning-Microscopy", Colloid & Polym. Sci. 279 (2001) 61-67

  • 6-05.091V

    T. Düren,F.J. Keil, N.A. Seaton, "Composition-dependent transport diffusion coefficients of CH4/CF4 mixtures in carbon nanotubes by non-equilibrium molecular dynamics simulations", Chem. Eng. Sci. 57 (2002) 1343-1354

  • 6-05.092V

    J. Wood, L.F. Gladden, F.J. Keil, "Modelling diffusion and reaction accompanied by capillary condensation using three-dimensional pore networks. 2. Dusty-Gas Model and General Reaction Kinetics", Chem. Eng. Sci. 57 (2002) 3047-3059

  • 6-05.093V

    A. Heyden, T. Düren, M. Kolkowski, F.J. Keil, "Design of a Pressure Swing Adsorption Module based on Carbon Nanotubes as Adsorbent - A Molecular Modeling Approach", Hung. J. Ind. Chem. 29 (2001) 95-104

  • 6-05.094V

    J.-H. Yun, T. Düren, F.J. Keil, N.A. Seaton, "Adsorption of methane, ethane and their binary mixtures on MCM-41: an experimental evaluation of methods for the prediction of adsorption equilibrium", Langmuir, 18 (2002) 2693-2701

  • 6-05.095V

    A. Heyden, T. Düren, F.J. Keil, "Study of Molecular Shape and Non-Ideality Effects on Mixture Adsorption Isotherms of Small Molecules in Carbon Nanotubes: A Monte Carlo Simulation Study", Chem. Eng. Sci. 57 (2002) 2439-2448

  • 6-05.096V

    T. Düren, F.J. Keil, N.A. Seaton, "Dual-control-volume grand canonical dynamics simulation of transport diffusion of binary mixtures", Fundamentals of Adsorption 7 (2002) 442-449

  • 6-05.097V

    J.-H. Yun, T. Düren, N.A. Seaton, "Adsorption Equilibrium of CH4-C2H6 Mixtures in Mesoporous Solids: Experiments and Monte Carlo Simulation", Fundamentals of Adsorption 7 (2002) 185-192

  • 6-05.098V

    K.M. Swamy, F.J. Keil, "Ultrasonic power measurement in the milliwatt region by the radiation force float method", (Ultrasonics, Sonochem. 9 (2002) 305-310

  • 6-05.099V

    F.J. Keil, K. Mandel, "Parallelization of Iterative Dynamic Programming (IDP)", in R. Luus (Ed.) "Recent developments in optimization optimal control", Research Signpost, Trivandrum, 2002, pp. 323-334

  • 6-05.104V

    C. Liebner, D. Wolf, M. Baerns, M. Kolkowski, F. Keil, "A High-Speed Method for obtaining kinetic data for exothermic or endothermic catalytic reactions under non-isothermal conditions illustrated for the ammonia synthesis", Appl. Catal. A, 240 (2003) 95-110

  • 6-05.100V

    K.J. Swamy, F.J. Keil, "Fine bubble generation in a column reactor by placement of a diaphragm across a low frequency sound field", Hung. J. Ind. Chem., 30 (2002) 77-79

  • 6-05.101V

    T. Düren, F.J. Keil, N.A. Seaton, "Molecular Simulation of adsorption and transport diffusion of model fluids in carbon nanotubes", Molecular Physics 100 (2002) 3741-3751

  • 6-05.102V

    T. Düren, S. Jakobtorweihen, F.J. Keil, N.A. Seaton, "Grand canonical molecular dynamics simulations of transport in geometrically heterogeneous pores", Phys. Chem. Chem. Phys. 5 (2003) 369-375

  • 6-05.103V

    A. Beckmann, F.J. Keil, "Increasing Yield and Operating Time of SLP-Catalyst Processes by Flow Reversal and Instationary Operation", Chem. Eng. Sci. 58 (2003) 841-847

  • 6-05.106V

    X.-Y. Guo, F.J. Keil, "Monte Carlo simulation of first-order diffusion - limited reaction with three-dimensional porous pellets", Chin. J. Chem. Eng. 11 (2003) 472-476

  • 6-05.105V

    M. Kolkowski, J. Malachowski, F.J. Keil, C. Liebner, D. Wolf, M. Baerns, "Influences of heat transport on the determination of reaction rates using the temperature scanning plug flow reactor", Chem. Eng. Sci. 58 (2003) 4903-4909

  • 6-05.121V

    K. Wilke, R. Wepf, F.J. Keil, K.-P. Wittern, S.S. Biel, "Are sweat glands an alternate penetration pathway? Understanding the morphological complexity of the axillary sweat gland apparatus", Skin Pharmacology and Physiology, 19 (2006), 38-49

  • 6-05.127V

    C. Lazo, F.J. Keil, K. Reuter, M. Scheffler, "Self-consistant lattice-gas Hamiltonians; the H/Pd(111) phase diagram from first principles" (submitted)

  • 6-05.107V

    V. Kasche, M. de Boer, C. Lazo, M. Gad, "Direct observation of intraparticle equilibration and the rate-limiting step in adsorption of proteins in chromatographic adsorbents with confocal laser scanning microscopy", J. Chromatography B 790 (2003) 115-129

  • 6-05.115V

    M. Kolkowski, F.J. Keil, C. Liebner, D. Wolf, M. Baerns, "The temperature scanning plug flow reactor (TSPFR) applied to complex reactions - Oxidative dehydrogenation of propane as an example", Chem. Eng. J. 108 (2005) 219-226

  • 6-05.110V

    F.J. Keil, "Molecular Modelling in Chemical Engineering", J. of the Univ. of Chem. Techn. and Metallurgy Sofia, 39 (2004) 245-262

  • 6-05.111V

    B. Peters, A. Heyden, A.T. Bell, A. Chakraborty, "A growing string method for determining transition states: Comparison to the nudged elastic bond and string methods", 120 (2004) 7877-7886

  • 6-05.112V

    D. Fritsch, I. Randjelovic, F. Keil, "Application of a forced-flow catalytic membrane reactor for the dimerisation of isobutane", Catalysis Today, 98 (2004) 295-308

  • 6-05.114V

    S. Jakobtorweihen, N. Hansen, F.J. Keil, "Molecular simulation of alkene adsorption in zeolites", Mol. Phys. 103 (2005) 471-489

  • 6-05.001V

    F. Hartig, F. Keil, "Optimierung einer Kaskade von Festbettreaktoren mit dem Verfahren der iterativen dynamischen Programmierung", Chem.-Ing.-Tech. 64 (1992) 300-301

  • 6-05.002V

    R. Luus, J. Dietrich, F.J. Keil, "Multiplicity of Solutions in the Optimization of a Bifunctional Catalyst Blend in a Tubular Reactor", Can. J. Chem. Eng. 70 (1992) 780-785

  • 6-05.003V

    F. Hartig, F.J. Keil, "Iterative Dynamic Programming in Diffusion and Reaction Problems", Proc. 42nd Can. Chem. Eng. Conf., Toronto, Oct. 18-21 (1992) 83-84

  • 6-05.004V

    F.J. Keil, C. Segschneider, A. Bartsch, "Distribution of Pore Radii in Supported-Liquid-Phase-Catalysts (SLPC) by Diffusion Measurements", Proc. 42nd Can. Chem. Eng. Conf., Toronto, Oct. 18-21 (1992) 203-204

  • 6-05.005V

    F. Keil, "Diffusion und chemische Reaktion", Chemische Technik 44 (1992) 357-363

  • 6-05.006V

    J. Dittrich, F.J. Keil, R. Luus, "A Mathematical Model of Dehydroisomerization of Methylcyclopentane Using a Bifunctional Catalyst Blend", Chem. Eng. Technol. 16 (1993) 191-199

  • 6-05.007V

    F. Hartig, F.J. Keil, "Large-Scale Spherical Fixed Bed Reactors: Modeling and Optimization", Ind. Eng. Chem. Res. 32 (1993) 424-437

  • 6-05.022V

    A. Bartsch, "Beschleunigung des Stoffaustausches von Gas-Flüssigkeits-Reaktionen durch Schallwellen am Beispiel der Fetthärtung", Z. f. Naturforschung 50a (1994) 228-234

  • 6-05.033V

    C. Rieckmann,F.Keil, "Optimization of the Pore Structure of Catalyst Supports"; in: F. Keil, W. Mackens, H. Voß, J. Werther (Eds.): Scientific Computing in Chemical Engineering, Springer Verlag (Heidelberg) (1996) pp. 198-204

  • 6-05.073V

    F. Keil, "Diffusion und Chemische Reaktion", Springer Verlag (Heidelberg) 1999, ISBN: 3-540-66067-4

  • 6-05.109V

    F.J. Keil, "Catalytic Reactions and Reactors", Chem. Eng. Sci. 59 (2004) 5473-5478 (invited paper)

  • 6-05.116V

    N. Hansen, S. Jakobtorweihen, F.J. Keil, "Reactive Monte Carlo and GCMC simulations of the propene metathesis reaction", J. Chem. Phys. 122 (2005) 164705-1/11

  • 6-05.113V

    A. Heyden, B. Peters, A.T. Bell, F.J. Keil, "A comprehensive DFT study of Nitrous Oxide Decomposition over Fe-ZSM-5", J. Phys. Chem. B 109 (2005) 1857-1973

  • 6-05.117V

    A. Heyden, A. Bell, F.J. Keil, "Kinetic modeling of nitrous oxide decomposition on Fe-ZSM-5 based on parameters obtained from first-principles calculations", J. Catal. 233 (2005) 26-35

  • 6-05.119V

    S. Jakobtorweihen, M.G. Verbeek, C.P. Lowe, F.J. Keil, B. Smit, "Understanding the loading dependancy of self-diffusion in carbon nanotubes", Phys. Rev. Lett. 95 (2005) 044501-114

  • 6-05.120V

    F.J. Keil, U. Flügge, "High Performance Catalytic Tubular Membrane Reactors Owing to Forced Convective Flow Operations", Hung. J. Ind. Chem., 33 (2005), 31-42

  • 6-05.124V

    A. Heyden, N. Hansen, A.T. Bell, F.J. Keil, "Nitrous oxide decomposition over Fe-ZSM-5 in the presence of nitric oxide: A comprehensive DFT study, J. Phys. Chem. B 110 (2006), 17096-17114

  • 6-05.125V

    S. Jakobtorweihen, F.J. Keil, B. Smit, "Temperature and Size Effects on Diffusion in Carbon Nanotubes", J. Phys. Chem. B 110 (2006), 16332-16336

  • 6-05.122V

    S. Jakobtorweihen, C.P. Lowe, F.J. Keil, B. Smit, "A Novel Algorithm to Model the Influence of Host Lattice Flexibility in Molecular Dynamics Simulations - Loading Dependence of Self-Diffusion in Carbon Nanotubes", J.Chem. Phys. 124 (2006), 154706

  • 6-05.129V

    S. Jakobtorweihen, N. Hansen, F.J. Keil, "Combining Reactive and Configurational-Bias Monte-Carlo-Confinement Influence on the Propene Metathesis Reaction System in Various Zeolites", J. Chem. Phys. 125 (2006), 224709-1/9

  • 6-05.123V

    A. Heyden, F.J. Keil (und 66 weitere Autoren), "Advances in methods and algorithms in a modern quantum chemistry program package", PhysChemChemPhys (PCCP) 8 (2006), 3172-3191

  • 6-05.126V

    N. Hansen, A. Heyden, A.T. Bell, F.J. Keil, "A reaction mechanism for the nitrous oxide decomposition on binuclear oxygen bridged iron sites in Fe-ZSM-5", J. Phys. Chem. C, 111 (2007), 2092-2101

  • 6-05.130V

    F.J. Keil, "Modelling of Process Intensification (Ed.) (book), VCH (2007)

  • 6-05.131V

    F.J. Keil, S. Stoyanov, S.Y. Yordanov, "Improved Heuristic Rules for the Prive Algorithm of Global Optimization" (submitted)

  • 6-05.132V

    N. Hansen, A. Heyden, A.T. Bell, F.J. Keil, "Microkinetic modelling of nitrous oxide decomposition on binuclear oxygen bridged iron sites in Fe-ZSM-5", J. Catal. 248 (2007), 213-225

  • 6-05.133V

    S. Jakobtorweihen, C.P. Lowe, F.J. Keil, B. Smit, "Diffusion of Chain Molecules and Mixtures in Carbon Nanotubes: The Effect of Host Lattice Flexibility and Theory of Diffusion in the Knudsen Regime", J. Chem. Phys. 127 (2007), 024904-1/11

  • 6-05.134V

    N.E.R. Zimmermann, S. Jakobtorweihen, E. Beerdsen, B. Smit, F.J. Keil, "In-depth study of the influence of host-framework flexibility on the diffusion of small gas molecules in one-dimensional zeolitic pore systems", J. Phys. Chem. C 111 (2007), 17370-17381

  • 6-05.135V

    N. Hansen, F.A.B. Agbor, F.J. Keil, "New force fields for nitrous oxide and oxygen and their application to phase equilibria simulations", Fluid Phase Equil. 259 (2007), 180-188

  • 6-05.136V

    A. Argönül, L. Argönül, F.J. Keil, "The inconsistency in modeling surface diffusion with adsorption equilibrium", J. University of Chem. Technology & Metallurgy 42 (2007), 181-186

  • 6-05.137V

    I. Michinev, F.J. Keil, S. Stoyanov, "Some New Heuristic Algorithms for Global Optimization", J. of Univ. Chem. Technol. 42 (2007), 399-406

  • 6-05.138V

    K. Wilke, K. Wick, F.J. Keil, K.-P. Wittern, R. Wepf, S.S. Biel, "A strategy for correlative microscopy of large skin samples towards a holistic view of axially skin complexity", Experimental Dermatology 17 (2007), 73-80

  • 6-05.139V

    C. Jansson, D. Chaykin, C. Keil, "Rigorous error bounds for the optimal value in semidefinite programming", SIAM, J. Numer. Anal. 46 (2007), 180-200

  • 6-05.140V

    F. Keil, Simulation of Adsorption and Phase Transitions of Gases on Metal Surfaces, J. Univ. Chem. Technology & Metallurgy 43 (2008), 19-28

  • 6-05.141V

    N. Hansen, T. Brüggemann, A.T. Bell, F.J. Keil, Theoretical investigation of benzene alkylation with ethylene over H-ZSM-5, J. Phys. Chem. C 112 (2008), 15402-15411

  • 6-05.142V

    D. Khashimiva, F.J. Keil, K. Kholmatov, Alkanes in Zeolites - Molecular Simulations, Empirical Isotherms, Mixtures, J. Univ. Chem. Technol. & Metallurgy 43 (2008), 335-344

  • 6-05.143V

    T. Brüggemann, F.J. Keil,Theoretical Investigation of the Mechanism of the Selective Catalytic Reduction of Nitric Oxide with Ammonia on H-form Zeolites, J. Phys. Chem. C 112 (2008), 17378-17387

  • 6-05.144V

    A. Argönül, F.J. Keil, An Alternative Procedure for Modeling of Knudsen Flow and Surface Diffusion, Chemical Engineering 52/2 (2008), 37-55

  • 6-05.145V

    F.J. Keil, Molecular Simulation of Adsorption in Zeolites and Carbon Nanotubes, in: L.J. dunne, G. Manos (Ed.): Adsorption and Phase Behavior in Nanochannels and Nanotubes, Springer Verlag (Heidelberg) (2009), p. 9-40

  • 6-05.146V

    N. Hansen, R. Krishna, J.M. van Baten, A.T. Bell, F.J. Keil, Analysis of diffusion limitation in the alkylation of benzene over H-ZSM-5 by combining quantum chemical calculations, molecular simulations, and continuum approach, J. Phys. Chem. C 113 (2009), 235-246

  • 6-05.147V

    S. Jakobtorweihen, F.J. Keil, Adsorption of alkanes, alkenes, and their mixtures in single-walled carbon nanotubes and bundles, Mol. Sim. 35 (2009), 90-99

  • 6-05.148V

    C. Lazo, F.J. Keil, Thermodynamics from first-principles: Phase diagram of oxygen adsorbed on Ni(111) and thermodynamic properties, Phys. Rev. B 79 (2009), 245418-1/18

  • 6-05.149V

    T. Brüggemann, F.J. Keil, Theoretical Investigation of the Mechanism of the Selective Catalytic Oxidation of Ammonia on H-form Zeolites, J. Phys. Chem. C 113 (2009), 13860-13876

Dissertationen

  • 6-05.001D

    J. Dittrich,"Optimierung der axialen Verteilung einer bifunktionellen Katalysatorschüttung im Festbettreaktor zum Dehydroisomerisieren von Methylcyclopentan".

  • 6-05.002D

    F. Hartig,"Globale Optimierung chemischer Reaktoren mit der iterativen dynamischen Programmierung".

  • 6-05.003D

    C. Segschneider-Christoph," Charakterisierung des Träger- und Beladungsmitteleinflusses bei Flüssigfilm-Trägerkatalysatoren (SLPC) mittels stationärer und instationärer Diffusionsmessungen".

  • 6-05.004D

    A. Beckmann,"SLP-Katalysatoren in stationär und instationär betriebenen Festbettreaktoren am Beispiel der Hydroformylierung".

  • 6-05.006D

    C. Rieckmann, "Lösung des Problems von Diffusion und Reaktion in dreidimensionalen Porennetzwerken für allgemeine Kinetiken - Theoretische und experimentelle Untersuchungen".

  • 6-05.005D

    J. Hinderer, "Diffusion, Reaktion und Reaktormodellierung am Beispiel der Umwandlung von Methanol zu Olefinen - Experimentelle und theoretische Untersuchungen".

  • 6-05.007D

    U. Flügge, "Entwicklung und Einsatz katalytischer Membranen am Beispiel der Modellreaktion des Wasserstoffperoxidabbaus - Experimentelle und theoretische Untersuchungen".

  • 6-05.008D

    M. Sugar, "Physikalisch-chemische Wechselwirkungen von anionischen Tensiden mit menschlicher Haut: Adsorption und Penetration".

  • 6-05.009D

    F. Fergg, "Nitratreduktion mittels in Polyvinylalkohol-Hydrogelpellets immobilisierten Bimetallkatalysatoren - Modellierung der Diffusions/Reaktionsphänomene und deren experimentelle Überprüfung".

  • 6-05.010D

    S. Dähnke, "Modellierung sonochemischer Prozesse - Berechnung von Schallfeldern und Kavitationsblasenverteilungen".

  • 6-05.011D

    J. Theis, "Entwicklung und Anwendung von katalytischen Polymermembranen".

  • 6-05.012D

    A. Garayhi, "Charakterisierung heterogen-katalytischer Reaktionen mit Hilfe dynamischer Methoden - Theoretische und experimentelle Untersuchungen am Beispiel der mikrokinetischen Modellierung der katalytischen Methanverbrennung".

  • 6-05.013D

    P. Memetzidis, "Erstellung eines Systems zur Ökobilanzierung und Umweltkostenrechnung - Beispielhafte Durchführung in einem mittelständischen Betrieb".

  • 6-05.014D

    T. Düren: "Molecular modelling of equilibrium adsorption of transport diffusion in microporous solids".

  • 6-05.015D

    M. Kolkowski: "Untersuchung von Eigenschaften und Grenzen der Temperature-Scanning-Methode sowie die Entwicklung zugehöriger Auswertungsalgorithmen der kinetischen Messungen".

  • 6-05.016D

    B. Kniazev: "Berechnung von Mehrphasenströmungen in chemischen Reaktoren".

  • 6-05.017D

    I. Randjelovic: "Isobutene Dimerization in a Flow-Through Catalytic Membrane Reactor".

  • 6-05.018D

    K. Wilke, "Struktur- und Funktionsaufklärung von Schweißdrüsen und ihre Interaktion mit Transpirantien".

  • 6-05.019D

    A. Heyden, "Theoretical investigation of the nitrous oxide decomposition over iron zeolite catalysts".

  • 6-05.020D

    C. Lazo: "A First-Principles Statistical Mechanics Study of the Ordering Behaviour of Hydrogen on Pd(111)at Low Temperatures".

  • 6-05.021D

    S. Jakobtorweihen: "Molecular Simulation of Technically Relevant Molecules in Nanoporous Materials - Carbon Nanotubes and Zeolites "

  • 6-05.022D

    D. Chaykin: "Verification of Semidefinite Optimization Problems with Application to Variational Electronic Structure Calculation"

  • 6-05.023D

    A. Argönül: "Measurement and Calculation of Multicomponent-Diffusion and Reaction in Catalyst Particles, Effect of the Catalyst Pore Structure"