Publikationen heute - 2013
Institutsleiter: Prof. Horn













Publikationen 1989 - 2013
Institutsleiter: Prof. Keil


S. Samrand, F. Keil et al.

Evolution paths from gray to turquoise hydrogen via catalytic steam methane reforming: Current challenges and future developments, Renewable and Sustainable Energy Reviews 183 (2023): 113392,



J. Ekka, S. N. Upadhyay, F. Keil, S. Pakhira

Unveiling the role of 2D monolayer Mn-doped MoS₂ material: toward an efficient electrocatalyst for H₂ evolution reaction, Physical Chemistry Chemical Physics 24 (1): 265-280 (2022-01-07), doi: 10.1039/d1cp04344g

B.C. Bukowski, F. J. Keil, P. I. Ravikovitch, G. Sastre, R. Q. Snurr, M.-O. Coppens

Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids. Adsorption (2021) 27:683-760; doi: 10.1007/s10450-021-00314-y

S. Arnifard, A. T. Bell, F. J. Keil, A. Heyden

Kinetic modeling of nitrous oxide decomposition on Fe-ZSM-5 in the presence of nitric oxide-based on parameters obtained from first-principles calculations, Catal. Sci. & Technol.; doi: 10.1039/d1cy00252j

S. Saeidi, S. Najari, V. Hessel, K. Wilson, F. J. Keil, P. Concepción, S. L. Suib, A. E. Rodrigues

Recent advances in CO2 hydrogenation to value-added products - Current challenges and future directions, Progress in Energy and Combustion Science 85 (2021), paper: 100905, doi: 10.1015/j.pecs.2021.10095



D. Chaykin, C. Jansson, F. J. Keil, M. Lange, K. T. Ohlhus, S. M. Rump

Rigorous Lower Bounds for the Ground State Energy of Molecules by Employing Necessary N-Representability Conditions; J. Chem, Theory Comput. 16 (12) (2020), 7342-7356

S. Najari, S. Saeidi, G. Gróf, F. J. Keil, A. E. Rodrigues

Kinetic parameters estimation via dragonfly algorithm (DA) and comparison of cylindrical and spherical reactors performance for CO2 hydrogenation to hydrocarbons; Energy Conversion and Managment 226 (2020) paper: 113550; doi: 10.1016/j.enconman.2020.113550

D. F. Rivas, F. J. Keil et al.

Process intensification education contributes to sustainable development goals. Part 2, Education for Chemical Engineers 32 (2020), 15-24

D. F. Rivas, F. J. Keil et al.

Process intensification education contributes to sustainable development goals. Part 1, Education for Chemical Engineers 32 (2020), 1-14

X. Liu, Q. Zhang, G. Ye, J. Li, P. Li, X. Zhou, F. J. Keil

Deactivation and regeneration of Claus catalyst particles unraveled by pore network model, Chemical Engineering Science 211 (2020) 115303



A. Argönül, F. Keil

Ethylene hydrogenation in pellets with different pore structures, measured in a one-sided single-pellet reactor, Int. J. Chem. React. Eng., doi:10.1515/ijcre-2018-0166

G.Ye, H. Wang, X. Zhou, F.J. Keil; M.-O. Coppens, W. Yuan

Optimizing Catalyst Pore Network Structure in the Presence of Deactivation by Cocking, AIChE J, doi:10.1002/aic.16687

X. Liu, H. Wang, G. Ye, X. Zhou, F.J. Keil

Enhanced performance of catalyst pelletes for methane dry reforming by engineering pore network structure, Chem. Eng. J. 373 (2019), 1389-1396, doi:10.1016/j.cej.2019.03.125

S. Bendt, Y. Dong, F.J. Keil

Diffusion of Water and Carbon Dioxide and Mixtures Thereof in Mg-MOF-74, J. Phys. Chem. C 123 (2019), 8212-8220, doi10.1021/acs.jpcc.8b08457



F.J. Keil

Molecular Modelling for Reactor Design, Annu. Rev. Chem. Biomol. Eng. 9 (2018), 201-227



F.J. Keil

Process Intensification; Reviews in Chemical Engineering. 32 (2017), 135-200, online: 19. Dez. 2017; doi: 10.1515/revce-2017-0085

M. Hovestadt, S. Bendt, S. S. Mondal, K. Behrens, F. Reif, M. Döpken, H.-J. Holdt, M. Hartmann, F. J. Keil

Experimental and Theoretical Analysis of the Influence of Different Linker Molecules in Imidazolate Frameworks Potsdam (IFP-n) on the Separation of Olefin–Paraffin Mixtures, Langmuir 33 (2017), 11170-11179



M. Ajmal, G. Fieg, F. Keil

Analysis of process intensification in enzyme catalyzed reactions using ultrasound, Chem. Eng. & Processing 110 (2016), 106-113

S. Bendt, M. Hovestadt, U. Böhme, C. Paula, M. Döpken, M. Hartmann, F.J. Keil

Olefin/Paraffin separation potential of ZIF-9 and ZIF-71: A combined experimental and theoretical study, European Journal of Inorganic Chemistry (EurJIC), 2016 (2016), 4440-4449

B. Ma, X. Tong, C. Guo, X. Guo, X. Guo, F. J. Keil

Pyrite nanoparticles: An earth-abundant mineral catalyst for activation of molecular hydrogen and hydrogenation of nitroaromatics, RSC Adv. 6 (2016), 55220-55224

J.G. Pereira da Silva, H.A. Al-Qureshi, F. Keil, R. Janssen

A dynamic bifurcation criterion for thermal runaway during the flash sintering of ceramics, J. Eur. Ceram. Soc. 36 (2016), 1261-1267

Y. Dong, F.J. Keil, O. Korup, F. Rosowski, R. Horn

Effect of the catalyst pore structure of fixed-bed reactor performance of partial oxidation of n-butane: A simulation study, Chem. Eng. Sci. 142 (2016), 299-309



D.C. Tranca, P.M. Zimmerman, J. Gomes, D. Lambrecht, F.J. Keil, M. Head-Gordon, A.T. Bell

Hexane Cracking on ZSM-5 and Faujasite Zeolites: a QM/MM/QCT study, J. Phys. Chem. C 119 (2015), 28836-28853

T. Titze, A. Lauerer, L. Heinke, C. Chmelik, N.E.R. Zimmermann, F.J. Keil, D. Ruthven, J. Kärger

Transport in Nanoporous Materials Including MOFs: The Applicability of Fick's Laws, Angew. Chemie Int. Ed. 54 (2015), 14580-14583

D. Tranca, F.J. Keil, I. Tranca, M. Calatayud, S. Dzwigaj, M. Trejda, F. Tielens

Methanol oxidation to formaldehyde on VSiBEA zeolite: A combined DFT/vdW/Transition Path Sampling and Experimental Study, J. Phys. Chem. C., 119 (2015), 13619-13631



S. Jakobtorweihen, A. Chaides Zuniga, T. Ingram, T. Gerlach, F.J. Keil, I. Smirnova

Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics and COSMOmic, J. Chem. Phys. 141 (2014), 045102-1/12

A.N. Rudenko, S. Bendt, F.J. Keil

Multiscale Modeling of Water in Mg-MOF-74: From Electronic Structure Calculations to Adsorption Isotherms, J. Phys. Chem. C 118 (2014), 16218-16227



D. Tranca, F.J. Keil

Ab initio molecular dynamics studies of chemical reactions, J. Chem. Technol. Metall. 48 (2013), 437-444

A.N. Rudenko, F.J. Keil, M.I. Katsnelson, A.I. Lichtenstein

Exchange interactions and frustrated magnetism in single-side hydrogenated and fluorinated graphene, Phys. Rev. B 88 (2013), 081405(R)-1/4

S.A. Nikolaev, V.G. Mazurenko, A.N. Rudenko

Influence of magnetic order on phonon specra of multiferroic orthorhombic YMnO3, Solid State Commun. 164 (2013), 16-21

T. Ingram, S. Storm, L. Kloss, T. Mehling, S. Jakobtorweihen, I. Smirnova

Prediction of micelle/water and liposome/water partition coefficients based on molecular dynamics simulations, COSMO-RS, and COSMOmic, Langmuir 29 (2013), 3527-3537

N.E.R. Zimmermann, T. Zabel, F.J.Keil

Transport into nanosheets: Diffusion Equations Put to Test, J. Phys. Chem. C 117 (2013), 7384-7390

N. Hansen, F.J. Keil

Multiscale approaches for modeling hydrocarbon conversion reactions in zeolites, Chem. Ing. Techn. 85 (2013), 413-419

S. Jakobtorweihen, T. Ingram, I. Smirnova

Combination of COSMOmic and Molecular Dynamics Simulations for the Calculation of Membrane-Water Partition Coefficients, J. Comput. Chem., doi:10.1002/jcc.23262

F.J. Keil

Oxidation goes soft, Nature Chemistry 5 (2013), 91-92

F.J. Keil

Complexities in Modeling of Heterogeneous Catalytic Reactions, Comput. Math Appl. (CAMWA) 65 (2013), 1674-1697, doi:10.1016/j.camwa.2012.11.023

B. Kniazev, F.J. Keil

Verhalten von Blasen in Blasensäulen mit Bodenschwinger, Chem. Ing. Techn. 85 (2013), 299-302



P.M. Zimmerman, D. Tranca, J. Gomes, D.S. Lambrecht, M. Head-Gordon, A.T. Bell

Ab Initio Simulations reveal that Reaction Dynamics strongly affect product selectivity of the cracking of alkanes over H-MFI, J. Am. Chem. Soc. 134 (2012) 19468-19476

D.C. Tranca, N. Hansen, J.A. Swisher, B. Smit, F.J. Keil

A combined density functional theory and Monte Carlo analysis of monomolecular cracking of light alkanes over H-ZSM-5, J. Phys. Chem. C 116 (2012), 23408-23417

J. Liang, G. Fieg, F.J. Keil, S. Jakobtorweihen

Adsorption of proteins onto ion-exchange chromatographic media: A molecular dynamics study, Ind. Eng. Chem. Res. 51 (2012), 16049-16058

N.E.R. Zimmermann, B. Smit, F.J. Keil

Predicting local transport coefficients at solid-gas interfaces, J. Phys. Chem. C, 116 (2012), 18878-18883

A.N. Rudenko, F.J. Keil, M.I. Katsnelson, A.I. Lichtenstein

Adsorption of cobalt on graphene: Electron correlation effects from a quantum chemical perspective, Phys. Rev. B 86 (2012), 075422-1/11

N.E.R. Zimmermann, S.P. Balaji, F.J. Keil

Surface Barriers of Hydrocarbon Transport Triggered by Ideal Zeolite Structures, J. Phys. Chem. C 116 (2012), 3677-3683

N. Hansen, F. J. Keil

Multiscale modeling of reaction and diffusion: From the molecular level to the reactor, Soft Mater. 10 (2012), 178-201, doi:10.1080/1539445X.2011.599708

F.J. Keil

Multiscale Modeling in Computational Heterogeneous Catalysis, Top. Curr. Chem. 307 (2012), 69-108



F.J. Keil, N.E.R. Zimmermann

Transport Barriers as Triggered by the Idealized Microscopic Crystal Surface and the Role of the Evaluation Protocol of Diffusion Experiments, 16 (2011), 76

F.J. Keil

Modellierung von heterogen-katalysierten Reaktionen in porösen Medien, Chem. Ing. Tech. 83 (2011), 2188-2210

T. Brüggemann, F.J. Keil

Theoretical Investigation of the Mechanism of the Selective Catalytic Reduction of Nitrogen Oxide with Ammonia on the Fe-Form Zeolites, J. Phys. Chem. C 115 (2011), 23854-23870,

F.J. Keil

Modeling Reactions in Porous Media in: O. Deutschmann (Ed.) Modeling and Simulation of Heterogeneous Catalytic Reactions from the Molecular Process to the Technical System, Wiley-VCH, p. 149-186 (2011)(book)

V.V. Mazurenko, S.N. Iskakov, M.V. Valentyuk, A.N. Rudenko, A.I. Lichtenstein

Orbital-selective conductance of Co adatom on the Pt(111) surface, Phys. Rev. B 84 (2011), 193407-1/5

K.U. Kholmatov, F.J. Keil

Monte Carlo simulations of phase equilibria of binary mixtures containing methane, ethane, n-pentane, nitrogen and oxygen comparison with experimental measurements and predictions of Peng-Robinson EOS and Perturbed-Chain SAFT, J. Univ. of Chem. Techn. & Metallurgy 46 (2011), 267-274

T.C. Brüggemann, D.G. Vlachos, F.J. Keil

Microkinetic modeling of th fast selective catalytic reduction of nitrogen oxide with ammonia on H-ZSM-5 based on first principles, J. Catal. 283 (2011), 178-191

A.N. Rudenko, F.J. Keil, M.I. Katsnelson, A.I. Lichtenstein

Local interfacial interactions between amorphous SiO2 and supported graphene, Phys. Rev. B 84 (2011), 085438-1/9

N.E.R. Zimmermann, M. Haranczyk, M. Sharma, B. Liu, B. Smit, F.J. Keil

Adsorption and Diffusion in Zeolites: The Pitfall of Isotopic Crystal Structures, Mol. Sim. online:

D.C. Tranca, F.J. Keil

First-principles investigation of the adsorption of 2,5 pyridine di-carboxidic acid onto the Cu(011) surface, J. Chem. Phys. 34 (2011), 104708-1/15

T. Brüggemann, F.J. Keil

Theoretical Investigation of the Mechanism of the Oxidation of Nitrogen Oxide on Iron-Form Zeolites in the Presence of Water, J. Phys. Chem. C 115 (2011), 2114-2133,

A.N. Rudenko, F.J. Keil, M.I. Katsnelson, A.I. Lichtenstein

Graphene adhesion on mica: Role of surface morphology, Phys. Rev. B 83 (2011) 045409-1/6



V.V. Mazurenko, S.N. Iskakov, A.N. Rudenko, V.I. Anisimov, A.I. Lichtenstein

Renormalized spectral function for Co adatom on the Pt(111) surface, Phys. Rev. B 82 (2010), 193403-1/4

N. Hansen, T. Kerber, J. Sauer, A.T. Bell, F.J. Keil

Quantum Chemical Modeling of Benzene Ethylation over H-ZSM-5 Approaching Chemical Accuracy: A Hybrid MP2:DFT Study, J. Amer. Chem. Soc. (JACS) 132 (2010), 11525-11538; doi10.1021/ja102261m

F.J. Keil

Temperature and Pore Size Effects on Diffusion in Single-Wall Carbon Nanotubes, J. of the University of Chem. Technology & Metallurgy 45 (2010), 161-168

A.N. Rudenko, F.J. Keil, M.I. Katsnelson, A.I. Lichtenstein

Adsorption of diatomic halogen molecules on graphene: A van der Walls density functional study, Phys. Rev. B 82 (2010), 035427-1/7

F.J. Keil

Modellierung von Adsorption, Diffusion und katalysierte Reaktionen in porösen Medien, Chem.-Ing.-Tech. 82 (2010), 881-890

T. Brüggemann, F.J. Keil, S. Balayi, M.-D. Przybylski

Theoretical Investigation of the Mechanism of the Selective Catalytic Reduction of Nitrogen Dioxide with Ammonia on H-form Zeolites and the Role of Nitric and Nitrous Acid as Intermediates, J. Phys. Chem. 114 (2010), 6567-6587

N. Hansen, R. Krishna, J.M. van Baten, A.T. Bell, F.J. Keil

Reactor simulation of benzene ethylation and ethane dehydrogenation catalyzed by ZSM-5: A multiscale approach, Chem. Eng. Sci. 65 (2010), 2472-2480

S.J. Swisher, N. Hansen, T. Maesen, F.J. Keil, B. Smit, A.T. Bell

Theoretical Simulation of n-Alkane Cracking on Zeolites, J. Phys. Chem. C 114 (2010), 10229-10239

N.E.R. Zimmermann, B. Smit, F.J. Keil

On the Effects of the External Surface on the Equilibrium Transport in Zeolite Crystals, J. Phys. Chem. C 114 (2010), 300-310

T. Nanok, S. Vasenkov, F.J. Keil, S. Fritzsche

Molecular Dynamics simulation of the concentration dependence of the self-diffusivity of methanol in NaX zeolite, Microporous and Mesoporous Mater. 29 (2010), 176-181



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

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

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

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

F.J. Keil

Molecular Simulation of Adsorption in Zeolites and Carbon Nanotubes (in: L. J. Dunne, G. Manos (Eds.): Adsorption and Phase Behaviour in Nanochannes and Nanotubes), Springer Verlag (Heidelberg) 2009, p. 9-40



A. Argönül, F.J. Keil

An Alternative Procedure for Modeling of Knudsen Flow and Surface Diffusion, Periodica Polytechnica, Chemical Engineering, 52/2 (2008), 37-55

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

D. Khashimova, F.J. Keil, K. Kholmatov

Alkanes in Zeolites - Molecular Simulations, Empirical Isotherms, Mixtures, J. Univ. Chem. Technol. & Metallurgy 43 (2008), 335-344

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


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



C. Jansson, C. Chaykin, C. Keil

Rigorous error bounds for the optimal value in semidefinite programming, SiAM J. Numer. Anal. 46 (2007), 180-200

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

I. Michinev, F.J. Keil, S. Stoyanov

Some New Heuristic Algorithms for Global Optimization, J. Univ. of Chem. Technol. & Metallurgy 42 (2007), 399-406

A. Argönül, L. Argönül, F.J. Keil

The inconsistency in modeling surface diffusion with adsorption equilibrium, J. University of Chemical Technology & Metallurgy, 42 (2007), 181-186

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 *)

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

Addition/Correction: J. Phys. Chem. C 114 (2010), 15546

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 Theorey of Diffusion in the Knudsen Regime, J. Chem. Phys. 127 (2007), 024904-1/11

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

F.J. Keil, S. Stoyanov, S.Y. Yordanov

Improved Heuristic Rules for the Price Algorithm of Global Optimization, : Appl. Comput. Sci. 15 (2007), 63-82

F.J. Keil

Modelling of Process Intensification (Ed.) (Book), VCH (2007)

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



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. Phys. Chem. 125 (2006), 224709-1/9

S. Jakobtorweihen, F.J. Keil, B. Smit

Temperature and size effects on diffusion in carbon nanotubes, J.Phys. Chem. B, 110 (2006), 16332-16336

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

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

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

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



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

S. Jakobtorweihen, M.G. Verbeek, C.P. Lowe, F.J. Keil, B. Smit

Understanding the loading dependency of self-diffusion in carbon nanotubes, Phys. Rev. Lett., 95 (2005), 44501-1/4

A. Heyden, A.T. Bell, F.J. Keil

Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partioned rational function optimization method, J. Chem. Phys., 123 (2005), 224101-1/14

A. Heyden, A. Bell, F.J. Keil

Kinetic modeling of nitrous oxide decomposition on Fe-ZSM-5 based on parameters obtained from first-prinicples calculations, J. Catal., 233 (2005), 26-35

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

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

S. Jakobtorweihen, N. Hansen, F.J. Keil

Molecular simulation of alkene adsorption in zeolites, Mol. Phys., 103 (2005), 471-489

A. Heyden, B. Peters, A.T. Bell, F.J. Keil

A comprehensive DFT study of Nitrous Oxide Decomposition over Fe-ZSMN-5, J. Phys. Chem. B, 109 (2005), 1857-1873



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;116. 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

B. Peters, A. Heyden, A.T. Bell, A. Chakraborty

A growing string method for determining transitions states: Comparison to the nudged elastic band and string methods, J. Chem. Phys., 120 (2004), 7877-7886

F.J. Keil

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

F.J. Keil

Catalytic Reactions and Reactors, Chem. Eng. Sci., 59 (2004), 5473-5478



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

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

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

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

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

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



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;102. 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

K.M. 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

F.J. Keil, K. Mandel

Parallelization of Iterative Dynamic Programming, (IDP), in R. Luus (Ed.) Recent developments in optimization optimal control, Research Signpost, Trivandrum, pp. 232-334 (2002)

K.M. Swamy, F.J. Keil

Ultrasonic power measurements in the milliwatt region by the radiation force float method, Ultrasonics, Sonochem., 9 (2002), 305-310

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

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

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



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

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

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

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

B.V. Alexeev, N.I. Koltsov, F.J. Keil

Computer Construction of Chemical Reaction Systems, Hung. J. Ind. Chem. 29 (2001), 81-86

N.I. Koltsov, F.J. Keil

Multiplicity of Steady-States and the Shapes of its Exhibiting in Catalytic Reaction Kinetics, Hung. J. Ind. Chem. 29 (2001), 27-34

T. Düren, F.J. Keil

Molecular Modeling of Adsorption in Carbon Nanotubes, Chem. Eng. Technol. 24 (2001), 698-702

F.J. Keil

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

A. Garayhi, F.J. Keil

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

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

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

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



I. Michinev, S. Stoyanov, F.J. Keil

Investigation and Modification of the Luus-Jaakola Global Optimization Algorithm, Hung. J. Ind. Chem. 28 (2000), 231-239

R. Krishna, M.I. Urseanu, J. Ellenberger, F.J. Keil

Utilisation of bubble resonance phenomena to improve gas-liquid contacting, Naturwisschenschaften 87 (2000), 455-459

K. Poplawski, J. Lichtenberger, F.J. Keil, K. Schnitzlein, M.D. Amiridis

Catalytic Oxidation of 1,2-Cichlorobenzene over Type Perovskites, Catalysis Today 69 (2000), 329-336

T. Düren, F.J. Keil

Molekulare Simulation von Adsorptionsvorgängen in Kohlenstoff-Nanoröhrchen, Chem.-Ing.-Tech. 72 (2000), 833-837

F. Keil, R. Krishna, M.-O. Coppens

Modeling of diffusion in zeolites, Rev. Chem. Eng. 16 (2000), 71-197

X.-Y. Guo, F.J. Keil

Kinetics of N2O catalytic decomposition over three-dimensional fractals, Chem. Phys. Letters 330 (2000), 410-416

A.R. Garayhi, F.J. Keil

Meßmethoden zur Untersuchung von chemischen Kinetiken unter instationären Bedingungen, Chem. Technik (Leipzig) 52 (2000), 80-89



F. Hartig, K. Mandel, F.J. Keil

Parallelization of Iterative Dynamic Programming, Periodica Polytechnica Chem. Eng. 43 (1999), 3-16

F. Keil

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

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

A. Garayhi, F.J. Keil

Simulation of the non-stationary behaviour of fixed-bed reactors for the deter-mination of kinetic expressions in consideration of inhomogeneous concentration profiles inside the catalyst pellets. Scientific Computing in Chemical Engineering II (SCCE II), Springer, Heidelberg, 1999, S. 231-238

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, 1999, S. 208-216

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

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

F.J. Keil, K.M. Swamy

Reactors for sonochemical Engineering - Present Status, Rev. Chem. Eng. 15 (1999) 85-155

F.J. Keil

Diffusion and Reaction in Porous Networks; Catalysis Today, 53 (1999), S. 245-258

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

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

A.R. Garayhi, F.J. Keil

Simulation des instationären Verhaltens von Festbettreaktoren zur Bestimmung kinetischer Gleichungen. Chem.-Ing-Tech. 71 (1999) 230-233

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

F. Keil


Methanol-To-Hydrocarbons: Process technology. Microporous and Mesoporous Materials 29 (1999) 49-66

C. Rieckmann, Frerich J. Keil

Simulation and Experiment of Multicomponent Diffusion and Reaction in Three-Dimensional Networks. Chem. Eng. Sci. 54 (1999) 3485-3493

S.W. Dähnke, Frerich 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

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



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

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

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

F. Fergg, Frerich 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

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

S. Dähnke, F.J. Keil

Modellierung von Schallfeldern in inhomogenen Kavitationsblasenfeldern als Grundlage zur Auslegung von sonochemischen Reaktoren, Chem.-Ing.-Tech. 70 (1998) 1300-1303

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

A.R. Garayhi, U. Flügge-Hamann, F.J. Keil

Modellierung von instationär betriebenen Membran-reaktoren mit katalytisch aktiven Membranen für den Betrieb mit Flüssigkeiten. Chem.-Ing-Tech. 70 (1998) 123-127



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

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

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

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

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, American Chem. Soc. Meeting, San Francisco, April 13-17, 1997, Vol. 42 (1), pp. 84-86

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

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

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

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

C. Rieckmann, F.J. Keil

Multicomponent Diffusion and Reaction in Three-Dimensional Networks - General Kinetics, Ind. Eng. Chem. Res. 36 (1997) 3275-3281

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

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



F.J. Keil

Multicomponent Diffusion and Reaction in Microporous Materials, Invited Keynote Lecture, CHISA, Prag, 25.-30. Aug. 1996 (Proceedings) 225-231

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

C. Rieckmann, F.J. Keil

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

F.J. Keil

Optimierung verfahrenstechnischer Prozesse, Chem.-Ing.-Techn. 68 (1996) 639-650

F. Keil, S. Dähnke

Numerische Berechnung der Druckfelder in sonochemischen Reaktoren, Chem.-Ing. Techn. 68 (1996) 419-422

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

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

F.J. Keil

Modeling of Phenomena Within Catalyst Particles; Chem. Eng. Sci. 51 (1996) 1543-1567

J. Hinderer, F.J. Keil

Three-Dimensional Monte Carlo Calculations of Diffusion and Reaction Phenomena in Zeolites; Chem. Eng. Sci. 51 (1996) 2667-2672

F. Hartig, F.J. Keil, V.V. Kafarov

Optimization of Complex Reactions by Mixed-Integer Iterative Dynamic Programming (MIDP); Theoret. Found. Chem. Eng. 30 (1996) 50-60



J. Hinderer, F.J. Keil

Diffusion and Reaction in Composite Catalysts; Hung. J. Ind. Chem. 23 (1995) 207-213

F. Keil, S. Stoyanov, E. Chunova

Fuzzy Models in Process Optimal Control; Hung. J. Ind. Chem. 23 (1995) 201-206

R. Luus, X. Zhang, F. Hartig, F.J. Keil

Use od Piecewise Linear Continuous Optimal Control for Time-Delay Systems; Ind. Eng. Chem. Res. 34 (1995) 4136-4139

F. Hartig, F.J. Keil, R. Luus

Comparison of Optimization Methods for a Fed-Batch Reactor; Hung. J. Ind. Chem. 23 (1995) 141-148

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

F. Keil, E. Chunova, S. Stoyanov

Global Optimization Using Iterative Dynamic Programming; Proc. of the workshop System-Modelling-Control, Zakopane, Vol. 1 (1995) 405-410 (ISBN 83-902115-2-1)



A. Bartsch

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

R. Luus, F. Hartig, F.J. Keil

Optimal Drug Scheduling of Cancer Chemotherapy, Periodica Polytechnica Ser. Chem. Eng. Vol. 38 (1994) 105-109

F.J. Keil, H.-P. Detering, A. Klein

Modeling of Supported-Liquid-Phase Catalysts by Percolation Theory, Periodica Polytechnica Ser. Chem. Eng. Vol. 38 (1994) 99-103

J. Hinderer, F.J. Keil

Monte Carlo Calculation: Diffusion in Zeolites; Periodica Polytechnica Ser. Chem. Eng. Vol. 38 (1994) 75-80

F. Hartig, F.J. Keil

Global Optimization of Quench Reactors by Iterative Dynamic Programming; Hung. J. Ind. Chem. 22 (1994) 233-238

H. Schönfelder, J. Hinderer, J. Werther, F.J. Keil

Olefinsynthese aus Methanol (MTO) im Reaktor mit Zirkulierender Wirbelschicht; Chem.-Ing.-Tech. 66 (1994) 960-963

H. Schönfelder, J. Werther, J. Hinderer, F.J. Keil

A Multi-Stage model for the Circulating Fluidized Bed Reactor; AIChE Sympos. Series Vol. 90 (1994) 92-104

F.J. Keil, C. Rieckmann

Optimization of Three-Dimensional Catalyst Pore Structures; Chem. Eng. Sci. 49 (1994) 4811-4822

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 Experiments in a Fixed-Bed Reactor; Chem. Eng. Sci. 49 (1994) 5377-5390

F.J. Keil, D. Schreiber

Rekonstruktion der Porenradienverteilung von porösen Materialien aus Diffusionsmessungen, Chem.-Ing.-Tech. 66 (1994) 201-203

F. Keil

Diffusion und chemische Reaktion in der Gas/Feststoff-Katalyse - eine Übersicht, Teil IIb: Porenstrukturen; Chemische Technik 46 (1994) 7-15



F. Keil, C. Rieckmann

Optimization of Catalyst Pore Structures; Hung. J. Ind. Chem. 21 (1993) 277-286

F. Keil

Diffusion und chemische Reaktion in der Gas/Feststoff-Katalyse - Eine Übersicht, Teil IIa: Porenstrukturen; Einfache Porenmodelle; Chemische Technik 45 (1993) 437-447

F. Keil

Diffusion und chemische Reaktion in der Gas/Feststoff-Katalyse - Eine Übersicht; Chemische Technik 45 (1993) 67-77

F. Hartig, F.J. Keil

A Modified Algorithm of Iterative Dynamic Programming; Hung. J. Ind. Chem. 21 (1993) 101-108

F. Hartig, F.J. Keil

Large-Scale Spherical Fixed Bed Reactors: Modeling and Optimization; Ind. Eng. Chem. Res. 32 (1993) 424-437

J. Dittrich, F.J. Keil, R. Luus

A Mathematical Model of Dehydroisomerization of Methyl-cyclopentane Using a Bifunctional Catalyst Blend; Chem. Eng. Technol. 16 (1993) 191-199



F. Keil

Diffusion und chemische Reaktion; Chemische Technik 44 (1992) 357-363

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) 203-20

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

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

F. Hartig, F. Keil

Optimierung einer Kaskade von Festbettreaktoren mit dem Verfahren der iterativen dynamischen Programmierung; Chem.-Ing.-Tech. 64 (1992) 300-301



2012 - 1989

Dr.-Ing. T. Brüggemann

Theoretical Investigation of the Selective Catalytic Reduction of Nitrogen Oxides with Ammonia on Fe/H-ZSM5 (2011)

Dr.-Ing. Niels Hansen

Multiscale Modeling of Reaction and Diffusion in Zeolites (2010)

Dr. M.-Sc. Aykut Argönül

Measurement and Calculation of Multicomponent-Diffusion and Reaction in Catalyst Particles, Effect of the Catalyst Pore Structure (2009)

Dr. Denis Chaykin

Verification of Semidefinite Optimization Problems with Application to Variational Electronic Structure Calculation (2009)

Dr.-Ing. Sven Jakobtorweihen

Molecular Simulation of Technically Relevant Molecules in Nanoporous Materials - Carbon Nanotubes and Zeolites (2007)

Dr.-Ing. Cesar Lazo

A First-Principles Statistical Mechanics Study of the Ordering Behaviour of Hydrogen on Pd(111) at Low Temperatures (2006)

Dr.-Ing. A. Heyden

Theoretical investigation of the nitrous oxide decomposition over iron zeolite catalysts (2005)

Dr.-Ing. K. Wilke

Struktur- und Funktionsaufklärung von Schweißdrüsen und ihre Interaktion mit Transpirantien (2005)

Dr.-Ing. Igor Randjelovic

Isobutene Dimerization in a Flow-Through Catalytic Membrane Reactor (2004)

Dr.-Ing. Boris Kniazev

Berechnung von Mehrphasenströmungen in chemischen Reaktoren (2004)

Dr.-Ing. Matthias Kolkowski

Untersuchung von Eigenschaften und Grenzen der Temperature-Scanning-Methode sowie die Entwicklung zugehöriger Auswertungsalgorithmen der kinetischen Messungen (2003)

Dr.-Ing. Tina Düren

Molecular modelling of equilibrium adsorption and transport diffusion in microporous solids (2002)

Dr.-Ing. Panagiotos Memetzidis

Erstellung eines Systems zur Ökobilanzierung und Umweltkostenrechnung - Beispielhafte Durchführung in einem mittelständischen Betrieb (2001)

Dr.-Ing. Abdul Garayhi

Charakterisierung heterogen-katalytischer Reaktionen mit Hilfe dynamischer Methoden - Theoretische und experimentelle Untersuchungen am Beispiel der mikrokinetischen Modellierung der katalytischen Methanverbrennung (2000)

Dr.-Ing. Julia Theis

Entwicklung und Anwendung von katalytischen Polymermembranen (2000)

Dr.-Ing. Sascha Dähnke

Modellierung sonochemischer Prozesse - Berechnung von Schallfeldern und Kavitationsblasenverteilungen (1999)

Dr.-Ing. Florian Fergg

Nitratreduktion mittels in Polyvinylalkohol-Hydrogelpellets immobilisierten Bimetallkatalysatoren -- Modellierung der Diffusion/Reaktions-Phänomene und deren experimentelle Überprüfung (1999)

Dr.-Ing. Martin Béla Sugár

Physikalisch-chemische Wechselwirkungen von anionischen Tensiden mit menschlicher Haut: Adsorption und Penetration (1999)

Dr.-Ing. Uta Flügge

Entwicklung und Einsatz katalytischer Membranen am Beispiel der Modellreaktion des Wasserstoffperoxidabbaus -- Experimentelle und theoretische Untersuchungen (1998)

Dr.-Ing. Christina Rieckmann

Lösung des Problems der Diffusion und Reaktion in dreidimensionalen Porennetzwerken für allgemeine Kinetiken -- Theoretische und experimentelle Untersuchungen (1997)

Dr.-Ing. Jürgen Hinderer

Diffusion, Reaktion und Reaktormodellierung am Beispiel der Umwandlung von Methanol zu Olefinen - Experimentelle und theoretische Untersuchungen (1995)

Dr.-Ing. Andreas Beckmann

SLP-Katalysatoren in stationär und instationär betriebenen Festbettreaktoren am Beispiel der Hydroformylierung (1995)

Dr.-Ing. Claudia Segschneider-Christoph

Characterisierung des Träger- und Beladungsmittelflusses bei Flüssigfilm-Trägerkatalysatoren (SLPC) mittels stationärer und instationärer Diffusionsmessungen (1994)

Dr.-Ing. Frank Hartig

Globale Optimierung chemischer Reaktoren mit der Iterativen Dynamischen Programmierung (1994)

Diplom-, Master- und Bachelorarbeiten


Roberto Garcia Peran

Feasibility study of a catalytic reactor setup for isopotential profile measurements using Raman spectroscopy (Master)

Sabrina Hellwege

Entwicklung einer Bewegungseinheit für einen hochdruckdichten Profilreaktor (Master)


Hemanth Appala

Resolving Carbon Formation in Dry Reforming of Methane employing ex-situ Laser Induced Breakdown Spectroscopy (LIBS) (Master)

Kavya Chandana Bharatula

Feasibility study of a catalytic reactor setup for isopotential profile measurements using high-energy x-ray diffraction (Master)

Ilse Carolina Gutierrez Estrella

Evaluation and comparison of surface reaction mechanisms for ammonia oxidation on platinum (Master)

Filip Vrljic

Kinetic Parameter Determination of Gas Phase Nitrogen Monoxide Oxidation by Resonance Raman Spectroscopy (Master)

Hannes Damerow

Feasibility Study of Isopotential Heterogeneous Catalyst Reactor Set-Up using Raman Spectroscopy (Bachelor)

Philip Wosiek

Coating, Reaction Analysis and Simulation of a Periodic Open Cell Structure with a TS-1 Catalyst fo rthe Epoxidation of Propylene in Profile Reactor (Master)

Shradha Rajendra Joshi

Modification, Synthesis and Characterisation of catalysts for butadiene production from ethanol (Master)


Alana Sá

Temporally and spatially resolved measurements and simulations using a fixed bed profile ractor (Master)

Sven Brauer

CFD simulation of spatial sampling in heterogeneous catalytic reactors by means of movable capillary inside a stationary perforated protection tube (Master)

Adnan Adullah

Messung von Konzentrations- und Temperaturprofilen der katalytischen Ammoniak Oxidation in einem neuen Profilreaktor (Master)

Svenja Lara Franziska Seiß

Synthesis and characterization of a supported nickel catalyst for the methanation of CO(Master) 

Andrés Eduardo Aquino

Liquid Phase Selective Oxidation of Propylene to Propylene Oxide on Titanium Silicalite Catalyst in a Compact Profile Reactor (Master)

Emil Pashayev

Investigation of the aqueous acrylic acid polymerization in continuous and discontinuous reactors (Master)

Diego Espinoza Astudillo

Catalyst activity profiling using a compact spatial profile reactor (Master)


Thore Klinger

Herstellung eines Nickelkatalysators für die Methanisierung von Kohlenstoffdioxid durch Imprägnierung (Bachelor)

Niklas Hamann

CFD-Simulation zur Untersuchung und Beurteilung von verschiedenen Drahtgeometrien für die Ammoniak Oxidation (Bachelor)

A. Rachdi

Spatially resolved investigation of catalyst dynamics using X-ray diffraction under isopotential conditions (Master) 


T. Brandenburg

Experimentelle Untersuchung der destillativen Abtrennung von Tocopherolen aus Rapsöl sowie die Umesterung des verarbeiteten Öles zu Biodiesel (Master)

B. Gunasekaran

Automated Reaction Kinetic Model Discrimination Procedure for Direct Synthesis of Dimethyl Ether (Master)

A. Behnecke

CFD-simulation of capillary sampling in a catalytic profile reactor for the ammonia oxidation on platinum gauzes (Master)

O. K. Uwa

Elucidating the suitability of Iron 1,3,5-benzenetricarboxylate (BTC) as an iron catalyst precursor for the Fischer-Tropsch synthesis to higher alcohols (Master)


S. Brauer

Dimensioning and Design of an NOx Absorber (Bachelor)

M. L. Kienast

Heterogeneous Catalysis: Comparison of RIETVELD-refinement and internal standards as methods for quantitative phase analysis on the basis of X-Ray diffraction patterns from multiphase powders composed of Corundum and Molybdenum Oxides (Bachelor)

N. Mehdiyev

CO-Oxidation on a cylindrical hollow catalyst pellet: development of a CFD-model with COMSOL Multiphysics (Projektarbeit)

Chr. Tewinkel

Modellbasierte Analyse des Einflusses thermophysikalischer Stoffeigenschaften auf die energieminimale Auslegung integrierter Reaktions- und Rektifikationsprozesse (Master)


T. Bölle

CO2 reduction to CO on intermetallic catalysts using genetic algorithmus and density functional theory (DTU Prof. Tejs Vegge)

A. Lyberis

Messung von Konzentrations-, Temperatur- und Raman-Spektroskopie Profilen in einem katalytischen Mini-Festbettreaktor (Bachelor)

E. Gil

Computational Fluid Dynamics Simulation for Temperature Regulation of a Fluidized Bed Reactor (Projektarbeit)

D. Sivaraman

A study on the synthesis of Maleic Anhydride and the viability of it being used in a Berty-type reactor (Projektarbeit)

N. Ekambaram

Synthesis of Vanadylpyrophosphate Catalysts fort he Oxidation of n-Butane to Maleic Anhydride (Projektarbeit)


J. Krüger

Konstruktion und Charakterisierung eines gradientenfreien Kreislaufreaktors für die heterogene Katalyse (Master)

J. Pottbacker

Synthesis and Characterization of plasmonic Gold Superstructures with isolating Silicon Oxide and Titanium Oxide Shells (Master)

J. Gerdts

Foam Catalyst for Partial Oxidation Reactions studied by X-ray microtomography, reactor profile measurements and numerical simulations (Master)

P. Moczkuhn

Design and Testing of a Gas Feed Unit for a Periodically Operated Fixed Bed Reactor (Bachelor)

J.C. Köster

Diffusion of small hydrocarbons in ZIFs: A molecular simulation study (Bachelor)

N.F. Heyden

Entwicklung eines Simulationsprogramms für ein PSA-Modul (Bachelor)


L. Chromow

Bestimmung der effektiven axialen Wärmeleitfähigkeit in Festbetten (Bachelor)

R. Christodoulou

Oxidative Dehydrogenation of Ethane: Implementation of a Micro Profile Reactor and Spatial Investigations under Reaction Conditions (Master)

K. Heitmann

Design, Berechnung und Bau einer Feedgasbereitung für einen katalytischen Testreaktor (Bachelor)

S. Grund

Strukturelles Kleben auf geölten Substraten: Optimierung eines reaktiven Haftklebstoffs (Master, Tesa)

A. Koshors

Synthesis of Vanadylpyrophosphate Catalysts for the Oxidation of n-Butane to Maleic Anhydride and Construction of a Kinetic Test Reactor (Master)

B. Sosna

Determination of Effective Axial and Radial Heat Transfer Coefficients in a Fixed Catalyst Bed by Experiment and Simulation (Master)

M. Döpken

Ethane/ethene separation: Investigation on the performance of the ZIF-family using molecular simulations (Bachelor)


Y. Dong

Investigation of CO2 and H2O diffusion in Metal-Organic Framework (Master)

V. Berg

Measurement and Simulation of Concentration and Temperature Profiles for Dry-Reforming of Methane in a Catalytic Fixed-Bed Reactor (Master) 

T. Behrends

The Oxidative Coupling of Methane Under Periodic Operation (Bachelor) 

D.L. Ramasamy

Decomposition of Perfluorocarbons (C6 and C8) in waste water using Dielectric Barrier Discharge reactor (Master) 


F. Geisendörfer

Cosmo-mic-Berechnungen zum Einfluss von Cholesterol auf den Verteilungskoeffizienten im System Biomembran/Wasser (Bachelor)

S. Hellwege

Evaluation und Optimierung eines Solereinigungsprozesses mit Ionenaustauschharzen (DOW Stade, Master)

R.T. Olvera

Modeling and simulation of chemical equilibrium reaction for fuel cells for SUAV project (EADS, Master)

A.J. Liebau

Erstellung eines Programms des IAST-Modells und dessen Überprüfung anhand von Metal-Organic Frameworks (MOFs) (Bachelor)

L. Nielandt

Untersuchungen zum Ad- und Desorptionsverhalten von NH3 und NO2 an Fe-Zeolith-Katalysatoren im instationären Betrieb von EnviNOx-Reaktoren (Diplomarbeit)

N.S. Budi Mulia

Evaluation and validation of various software tools as a platform for site energy management (Evonik)

R.P. Kekatpure

An evaluation of selected heat efficiency improvement methods in crude and vacuum distillation units of an existing petroleum refinery (Uhde)  

P. Bräuer

Molecular Diffusion and Dynamics of Liquid and Liquid Mixtures in Mesoporous Catalytic Materials Probed by PFG-NMR and THz-TDS (Univ. Cambridge)


D.J. Garcia

Zweiphasige Entlastung von Kolonnen unter Berücksichtigung der internen Dampf- und Flüssigströme (Master, BASF)

S. Praveen Sundaram

Model and improved process control loops for adsorbent ingredient weight control in diaper production (Master, Procter & Gamble)

J.T. Reckmann

Verfahrenstechnische Untersuchung der Kombination von Selding-Technik und Nanofiltration bei der Aufbereitung von Deponiesickerwasser (Diplomarbeit)

T.-T.-Linh Le

Prediction of the Biomembrane/Water Partition Coefficients of Charged Solutes with Molecular Dynamics and COSMOmic (Diplomarbeit)

Z.Z. Zhelyazkov

Modeling and Computer Simulation of Diffusion Problems in Chemical Engineering UCTM Sofia, Bachelor)

V.R. Dimitrova

Chemical Kinetics - Problems and Solutions with MATLAB (UCTM Sofia, Bachelor)

D. Yordanova

Modellierung von Ionophoren mit Molekulardynamik-Simulationen und COSMO-RS (UCTM Sofia, Master)

R. Schatz

Technologische Optimierung des Aufschmelzprozesses von Rework unter Berücksichtigung der GMP mit dem Ziel der Erhöhung der Reworkqualität und der Verkürzung der Aufschmelzzeiten (Unilever, Heppenheim, Diplomarbeit)


W. Bolle

Modellierung einer Methanolreformeranlage zur Wasserstofferzeugung mit MATLAB-Simulink (Howaldtwerke-Deutsche-Werft, Kiel)

A.L. Carvazos Garza

ATP Technology for the extraction of oil from oil shale (Polysius)

S. Bostelman

Aufbau und Inbetriebnahme eines autarken Brennstoffzellengesamtsystems sowie Entwicklung einer geeigneten Betriebsstrategie (Eberspächer GmbH, Esslingen)

L.M. Salinas Garza

High Task Silicone Pressure-Sensitive Adhesives (PSA) for Splicing Operations (TESA)

V. Buchem

Evaluierung von Verfahren zur Herstellung von Perlglanzsuspensionen und deren Charakterisierung mittels geeigneter analytischer Methoden (Beiersdorf)

T.J. Zabel

Transiente Molekulardynamikuntersuchungen zur Aufklärung von Oberflächenbarrieren der Diffusion von Kohlenwasserstoffen in Zeolithen

P. Mehta

First Principles Investigation of the Adsorption of Different Molecules on Cu(011) Surface

D.Y. Yordanova

Systematische Analyse der Kombination von COSMO-RS- und Moleküldynamik-Simulationen zur Vorhersage von Verteilungskoeffizienten im System DMPC/Wasser

K. Dobrowolski

Die verfahrenstechnische Optimierung des Feststoffeintrages bei der Gelherstellung (Schülke & Mayr GmbH, Norderstedt)

O. Paulsen

Auslegung einer Destillationskolonne zur Rückgewinnung von Chlorwasserstoff aus verschiedenen Abgasströmen (Diplomarbeit, Wacker-Chemie, Burghausen)

S. Jboury

Qualifizierung von Einflussgrößen auf die Eigenschaften von Glasampullen (Bachelor, Job GmbH, Ahrensburg)

A. Klink

Evaluation of heating and cooling processes of cosmetic products for potential optimization of the process management (Diplom, Unilever, Buxtehude)


S.P. Balaji

Molecular Simulation Study Investigating the Effect of External Surfaces on the Equilibrium of Chain Hydrocarbons in Zeolite Crystals

S. Malik

Thermodynamic Assessment of Grease Manufacturing Process (Shell)

S.K. Gheesulal

Systematical Evaluation of Different Surfactant Systems and its Interaction with Different Cationic Polymers in Shampoo Formulation (Beiersdorf)


S.V. Garcia

Online corrosion monitoring of a superaustenitic steel in a sulfuric acid and halogens containing process stream

M. Rechlin

Evaluierung von Einsatzmöglichkeiten der Impedanzspektroskopie als Inline-Messmethode zur Optimierung von industriellen Prozessabläufen (Unilever)

S. Schnegas

Experimentelle Untersuchung und Modellierung der Agllomeration von hochkonzentrierten Nanoaerosolen bei verschiedenen Ladungszuständen (BASF)

S. Mattheeßen

Verlängerung der Standzeit von Kunststoff-Behältern einer Rauchgasreinigungsanlage durch Optimierung der Prozessführung und Werkstoffauswahl (DOW)

M.-D. Przybylski

Theoretische Untersuchung der Entstehung von N2O bei der selektiven katalytischen Reduktion von NO2 mit Ammoniak am H-ZSM-5 als Katalysator

E. Küllmer

Adsorption von toxischen organischen Substanzen aus wässrigen Lösungen (UCTM Sofia)

A. Popovic (UCTM Sofia)

Gleichgewichtstransport von Methan und Ethan an der externen Membranoberfläche eines LTL-Zeolithen (Bachelor)

C. Bojkova (UCTM Sofia)

Theoretische Untersuchung der Oxidation von NO zu NO2 am FE-ZSM5 als Katalysator

H. Nagda

Modelling Ammonium Nitrate Neutraliser with Computational Fluid Dynamics

P. Pillalamarri

Porpylene Synthesis via Oligocracking: Reactor Modeling, Process Design & Benchmarking

Ö. Katak

Evaluation of model predictive controller for a sequence of purification units


E. von Harbou

CFD simulations of tubular packed-bed reactors and comparison to MR velocimetry (Cambridge)

N.G. Marinova

Influence of the catalyst pore structure on diffusion phenomena under reactive conditions: An experimental study in a single-pellet reactor (Master)

A. Bodo

Einsatz sauerstoffhaltiger Komponenten in einem thermischen Chlorierungs-Reaktor (DOW)

M. Völtzer

Qualitative und quantitative Beschreibung des Fehlergeschehens für den Produktionsprozess einer Artikelgruppe (TESA)

Z. Jovanov

Untersuchung der optimalen Reaktionsbedingungen in einem kinetischen Turbo-Reaktor (Bachelor, Sofia)

C. Bojkova

Einfluss der Porenstruktur der katalytischen Pellets auf die Reaktion in einem Einzelpellet-Diffusions-Reaktor (Bachelor, Sofia)

R.M. Beristain

Characterisation of Viscoelastic Properties of Adhesives by Means of Measuring the Complex Shear Modulus (Tesa)

C. Buck

Entwicklung von verfahrenstechnischen Konzepten zur Ausschleusung von Methanol aus dem Herstellungsprozess von 4,4-Diphenylmethandiisocyanat


C. Hunsakunathai

Development of a Low-Surface Energy (LSE) Acrylic Adhesive for Non-Polar Substrates (Tesa)

A. Boll

Die galvanische Vergoldung von Edelstahlbauteilen bei der Olympus Winter & IBE GmbH

A. Oltersdorf

Entwicklung einer Analytik für die sauere Textur in der Silizium-Solarzellenherstellung

T. Blaudszun

Oxidation Kinetics of Hydrogen Peroxide (H2O2) in Sterilization Processes (KHS)


A. Guzman

Technical-economical Comparison of the Application of mechanical Refrigeration Systems and Adsorption Refrigeration Systems in the Product Recovery Section of a Propane Dehydrogenation Plant

T. Mathuraiveeran

Development of Composite Membranes for Direct Methanol Full Cell (DMFC)

G. Tiravanichkul

Hydrogen Balance (Shell)

F. Jeutsopkeng

Ermittlung von Materialparametern für die FEM mit einfachen Versuchen an Vulkanisaten und Rohmischungen (Vibracoustic)

S. Poovathingal

Design and optimization of the anodic flow fields in a micro-Direct-Methanol Fuel Cell (µ-DMFC) using simulation techniques (Fraunhofer Dresden)

N. Zimmermann

Molecular Simulation Studies of Porous Materials

S. Paschant

Entwicklung eines hochtempraturbeständigen Beschichtungssystems für Aluminiumbauteile (Behr)

F.A.B. Agbor

Fluid Phase Equilibrium of Pure Components, Binary and Ternary Mixtures Determined by Monte Carlo Simulations


M. Balfe

Optimisation of Selective Fatty Acid Hydrogenation in the Hamburg Sound Reactor

T. Singhapong

Development of a Low-Surface Energy (LSE) Acrylic Adhesive for Non-Polar Substances

M. Ajmal

Development of a Test Bench for High Temperature Leak Rate Measurement of Plasma Sprayed Solid Oxide Fuel Cells

S. Chilamkurthi

Investigation of the Effects of Catalyst Pore Structure on Simultaneous Diffusion and Reaction

S. Latif

Kinetic study of methane reforming with steam and carbon dioxide over ceramic foam based Rh catalysts

J. Yang

Development and Evaluation of a High Performance Acrylic Pressure Sensitive Adhesive with excellent shear, temperature and plasticizer resistance

J. Ayesteran

Optimization of the distribution of cooling tower water in Latex production

K. Dietl

Molecular Dynamics Simulation of Lipid Bilayers


K. Zafar

Solution of the population balance equations for the micro-particle coating

N. Hansen

Molecular Simulation of Alkenes in Zeolites: Adsorption and Propene Metathesis

J. Kosyna

Reaction Engineering and Investigations of a Fuel Cell/Hydride-Storage System

T. Oltersdorf

Molekulare Simulationen: Betrachtung polarer Fluide mittels Ewaldsummen

C. Prosenjak

Hydrodynamics of Two-Phase Flow in Capillaries and their Application to Three-Phase Catalytic Monolith Reactors (Birmingham)

T. Hänsel

Alkan-Alken-Adsorption und Diffusion in Carbon-Nanotubes

J. Cavalcanti

Investigation of dispersal flame retardant containing halogen and its separation at the Norddeutsche Affinerie AG


G. Krishnamoorti

Characterization of Cosmetic Emulsions using Ultrasonic Compressometry ( Beiersdorf)

J. Sabir

Modeling of an integrated process for enzymatic esterification (Fraunhofer Oberhausen)

G. Artug

Molecular Simulation of Diffusion in Zeolites


J. Limongi

Inbetriebnahme und orientierende Versuche zu Gasphasenreaktionen in einer vibrationsunterstützten Hochtemperaturwirbelschichtanlage (Merck)

D. Schwier

Globale Optimierung von Prozessen mit Parameterschwankungen

D. Tamm

Influence of anode gas composition on polymer electrolyte fuel cell (PEFC) performance 

J. Malachowski

Einfluß methodenbedingter und experimenteller Fehlerquellen auf die Ermittlung von Reaktionsgeschwindigkeiten mit der Temperatur-Scanning-Methode am Beispiel der Ammoniaksynthese mittels Simulationen

E. Kabakci

Modelling of Adsorbency

Nallai Madhavan

Inhibition of galvanic corrosion between CFRP and Alluminum alloys (EADS)

A. Widjanarko

Compounding and Coating of New Acrylate Block-Copolymers (Tesa)

A. Argönül

Selective Hydrogenation of Octadiene in an inverse fuel cell

A. Sasonow

Molekulare Simulation der Adsorption von Alkanen und Stickoxiden in Kohlenstoffnanoröhrchen und Zeolithen

Z. Zhu

Investigation of Influence of Functional Fillers on Polyacrylic Based Pressure Sensitive Adhesives (Tesa)

M. Palau Altarriba

Investigation of the Probe Track Method for the Development of Pressure Sensitive Adhesives (Tesa)


P. Konidala

Advanced Control of Polymerization Reactors (Siemens)

S. Pause

Experimentelle Untersuchung der Abtrennung von Ammonium/Ammoniak aus Abwasser mit Membrantrenntechnik (Fraunhofer Stuttgart)

M. Siwek

Presentation, analysis and evaluation of natural gas fields exploitation with process simulation Hysis and Pipephase (Exxon Mobil)

N. Kesanapalli

Developing and planning of a concept for test state unit reactor for hydrogen production for PEM Fuel Cells (EADS)

S. Jakobtorweihen

Molecular Simulation of Transport Diffusion in Model Cylindrical Pores with Different Structures


J.-E. Wegner

Entwicklung eines Verfahrens zur Ausrüstung textiler Flächengebilde mit Trennmitteln und Erprobung des veredelten Materials im Einsatz als Träger für medizinische Pflaster (Beiersdorf)

C. Schumacher

Monte Carlo Simulation of the Adsorption of Water on Activated Carbon Adsorbents (Edinburgh)

H. Schurig

Cloud-Point Measurements for Lysozyme-Lysozyme Interactions in Aqueous Denaturant Solutions (Berkeley)

F. Hartmann

Entwicklung eines Beurteilungsverfahrens für Haftklebemassen zur messtechnischen Ermittlung des Klebverhaltens auf der Haut (Beiersdorf)

J. Dahl

Commissioning and Advanced Optimal Operation of an Integrated Pilot Plant


M. Freudenthal

Numerische Berechnung des Schalldruckfeldes in einem sonochemischen Reaktor (FB Physik)

M. Ramke

Experimentelle und theoretische Untersuchung der Wassergas-Shiftreaktion in einem Membranreaktor (Daimler-Chrysler)

K. Otto

Untersuchungen zur kontinuierlichen Veresterung von Thioglykolsäure (Merck KgaA)

J. Meyer

Simulation von instationär geführten heterogen katalytischen Prozessen

U. Biermann

Erstellung eines stoffübergangsbasierten Simulationsmodels für die simultane chemische Absorption von CO2 und H2S in wäßrigen MDEA-Lösungen in Gegenstrom-Packungskolommen (Lurgi)

S. Rüster

UV-Oberflächenbestahlung von Haftklebebändern zur Erhöhung der polaren Anteile in niederviskoser Klebemasse (Beiersdorf)

S. Papaja

Simulation of Adsorption and Diffusion in Model Cylindrical Pores with Different Shapes (mit Univ. of Edinburgh)

K. Poplawski

Catalytic Destruction of ortho-Dichlorobenzene over ABO3-type Perovskites: Effect of A- and B-site ions (Univ. of South Carolina)


B. Vollbrecht

Modellierung eines Trickle-Flow-Reaktors zum Chloratabbau (SOLVAY)

T. Schlieckau

Modellierung, Simulation und Implementierung einer Oktanzahlregelung im katalytischen Reformer (Platformer) (Shell)

M. Fehling

Kristallisationstechnik zur Stabilisierung von galvanischen Cadmiumbädern (Lufthansa)

S. Roßberg

Evaluierung der Gefährungssituation in einem chargenorientierten Unternehmen mit Mehrstoffgemischen

A. Bezold

Umstellung eines diskontinuierlichen Verfahrensschnittes bei der Ascorbinsäureherstellung auf kontinuierliche Prozessführung

N. Tzvetkov

Vermessung des dynamischen Verhaltens eines heterogen-katalytischen Reaktors am Beispiel der Methanverbrennung auf einem PD-Trägerkatalysator (Sofia)

J. Lodemann

Untersuchung der Prozessfähigkeit von Emulsionen und Tensiden (Elida Faberge)


U. Hütz

UV-initiierte kontinuierliche Polymerisation von Acrylatmischungen

E. Große-Klußmann

Optimierung und Simulation des Hydroformylierungsverfahrens nach dem Ruhrchemie-Rhone-Poulenc-Prozeß

F. Günther

Aerated Powder Flow Down Cyclone Diplegs and Standpipes (Univ. Bradford)

M. Busch

Modellierung eines Rohrmischers und experimentelle Untersuchungen dazu (BASF)

O. Stallmann

Reduzierung der Ammoniumfrachten im Abwasser bei deutschen Mineralölunternehmen am Beispiel des Konzepts der Holborn Europa Raffinerie (Holborn)

C. Goffin

Untersuchungen von katalytischen Membranen mit dem Abbau von H2O2 als Modellreaktion

C. Bouvier

Modellierung von Multikomponentendiffusion und -reaktion im Katalysatorpellet mit dem Dusty-Gas-Modell - Vergleich mit experimentellen Daten

T. Düren

Simulation der Sprühtrocknung mit FLUENT (Bayer)

B. Braun

Quantitative Structure-Performance Relationships - von der Struktur zur Eigenschaft (Hüls)


M. de Boer

Herstellung von in situ aushärtenden faserverstärkenden Verbundwerkstoffen auf der Basis nachwachsender Rohstoffe

T. Allers

Kinetische Modellierung einer Reformieranlage mit kontinuierlicher Katalysatorregeneration

P. Peeva

Modellierung eines Membranreaktors als Festbett

A. Garayhi

Erstellung eines Programms zur Auslegung eines Membranreaktors, in dem Abwasser gereinigt werden soll

P. Benfeldt

Untersuchung zur Eignung der photokatalytischen Oxidation zur Schadstoffreduktion in der Kabinenluft von Flugzeugen

C. Gall

Modellierung von Stofftransport und Reaktion im Katalysatorpellet mit dem Dusty-Gas-Modell - Vergleich mit experimentellen Daten


E. Wiese

Entwicklung eines kinetischen Reaktionsmodells für eine Reformieranlage mit kontinuierlicher Katalysatorregeneration

M. Schwesig

The Impact of the Modes of Preparation upon the Properties of CO-Pt. Catalysts - Characterization by Physical Methods and Catalytic Tests

M.B. Sugár

Adsorption von Tensiden an der Hautoberfläche


S. Witte

Ermittlung kinetischer Daten zum MTO-Prozeß in einem Differentialkreislaufreaktor und einer niedrig expandierten Wirbelschicht

H. Hintze

Katalysatorabtrennung durch Querstrom-Mikrofiltration am Beispiel der DMA-TCD-Synthese

J. Sun

Untersuchung der Reaktionsführung bei der Herstellung eines Epoxydharzhärters


M. Loß

Ermittlung kinetischer Daten und Modellierung der Olefinsynthese aus Methanol an einer niedrig expandierten Wirbelschicht

C. Rieckmann

Optimierung der Porenstruktur von Katalysatorträgern

H.-J. Scheidat

Einfluß der Katalysatoraltgerung und der Betriebsbedingungen auf den Wärmeübergangskoeffizienten bei heterogen-katalytischen Gasphasenreaktionen in der blasenbildenden Wirbelschicht

M. Timm

Untersuchung von Diffusion und Reaktion in Zeolithen mit einer Monte-Carlo-Methode

A. Wolters

Diffusionsmessungen an Flüssigfilm-Trägerkatalysatoren mit einer stationären Wicke-Kallenbach-Apparatur

A. Hankel

Ermittlung reaktionskinetischer Daten der Olefinsynthese aus Methanol in einem Differentialreaktor

H.-P. Detering

Beschreibung von SLP-Katalysatoren mit der Perkolationstheorie


C. Bormann

Mathematische Modellierung einer zweistufigen Naßwäscherkombination zur Rauchgasreinigung in der Abfallverbrennung

D. Langer

Berechnung optimaler Porenradien und Porenradienverteilungen am Beispiel der Methanolsynthese

B. Keil

Optimierung einer Rührkesselkaskade mit mehrfachen stationären Zuständen

D. Schreiber

Bestimmung der Porenradienverteilung aus Diffusionsmessungen