Molecular modeling of adsorption in carbon nanotubesDÜREN, Tina; KEIL, Frerich J.Chemical engineering & technology. 2001, Vol 24, Num 7, pp 698-702, issn 0930-7516Article

Study of molecular shape and non-ideality effects on mixture adsorption isotherms of small molecules in carbon nanotubes: A grand canonical Monte Carlo simulation studyHEYDEN, Andreas; DÜREN, Tina; KEIL, Frerich J et al.Chemical engineering science. 2002, Vol 57, Num 13, pp 2439-2448, issn 0009-2509Article

Modeling of microkinetics in heterogeneous catalysis by means of frequency response techniquesGARAYHI, Abdul R; KEIL, Frerich J.Chemical engineering journal (1996). 2001, Vol 82, Num 1-3, pp 329-346, issn 1385-8947Article

Composition dependent transport diffusion coefficients of CH₄/CF₄ mixtures in carbon nanotubes by non-equilibrium molecular dynamics simulationsDÜREN, Tina; KEIL, Frerich J; SEATON, Nigel A et al.Chemical engineering science. 2002, Vol 57, Num 8, pp 1343-1354, issn 0009-2509Article

Kinetic modeling of nitrous oxide decomposition on Re-ZSM-5 based on parameters obtained from first-principles calculationsHEYDEN, Andreas; BELL, Alexis T; KEIL, Frerich J et al.Journal of catalysis (Print). 2005, Vol 233, Num 1, pp 26-35, issn 0021-9517, 10 p.Article

Microkinetic modeling of the fast selective catalytic reduction of nitrogen oxide with ammonia on H-ZSM5 based on first principlesBRÜGGEMANN, Till C; VLACHOS, Dionisios G; KEIL, Frerich J et al.Journal of catalysis (Print). 2011, Vol 283, Num 2, pp 178-191, issn 0021-9517, 14 p.Article

Transport into Nanosheets: Diffusion Equations Put to TestZIMMERMANN, Nils E. R; ZABEL, Timm J; KEIL, Frerich J et al.Journal of physical chemistry. C. 2013, Vol 117, Num 14, pp 7384-7390, issn 1932-7447, 7 p.Article

Predicting Local Transport Coefficients at Solid―Gas InterfacesZIMMERMANN, Nils E. R; SMIT, Berend; KEIL, Frerich J et al.Journal of physical chemistry. C. 2012, Vol 116, Num 35, pp 18878-18883, issn 1932-7447, 6 p.Article

Grand canonical molecular dynamics simulations of transport diffusion in geometrically heterogeneous poresDÜREN, Tina; JAKOBTORWEIHEN, Sven; KEIL, Frerich J et al.PCCP. Physical chemistry chemical physics (Print). 2003, Vol 5, Num 2, pp 369-375, issn 1463-9076, 7 p.Article

Adsorption of Proteins onto Ion-Exchange Chromatographic Media: A Molecular Dynamics StudyJUAN LIANG; FIEG, Georg; KEIL, Frerich J et al.Industrial & engineering chemistry research. 2012, Vol 51, Num 49, pp 16049-16058, issn 0888-5885, 10 p.Article

Molecular dynamics simulation study of the concentration dependence of the self-diffusivity of methanol in NaX zeoliteNANOK, Tanin; VASENKOV, Sergey; KEIL, Frerich J et al.Microporous and mesoporous materials. 2010, Vol 127, Num 3, pp 176-181, issn 1387-1811, 6 p.Article

Catalytic reactions and reactorsKEIL, Frerich J.Chemical engineering science. 2004, Vol 59, Num 22-23, pp 5473-5478, issn 0009-2509, 6 p.Conference Paper

Determination of kinetic expressions from the frequency response of a catalytic reactor : theoretical and experimental investigationsGARAYHI, Abdul R; KEIL, Frerich J.Chemical engineering science. 2001, Vol 56, Num 4, pp 1317-1325, issn 0009-2509Conference Paper

Combined Density Functional Theory and Monte Carlo Analysis of Monomolecular Cracking of Light Alkanes Over H-ZSM-5TRANCA, Diana C; HANSEN, Niels; SWISHER, Joseph A et al.Journal of physical chemistry. C. 2012, Vol 116, Num 44, pp 23408-23417, issn 1932-7447, 10 p.Article

Diffusion and reactions of multicomponent electrolytes in poly(vinyl alcohol) hydrogels : modeling and experimentFERGG, Florian; KEIL, Frerich J.Chemical engineering science. 2001, Vol 56, Num 4, pp 1305-1315, issn 0009-2509Conference Paper

Increasing yield and operating time of SLP-catalyst processes by flow reversal and instationary operationBECKMANN, Andreas; KEIL, Frerich J.Chemical engineering science. 2003, Vol 58, Num 3-6, pp 841-847, issn 0009-2509, 7 p.Conference Paper