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Projektbereich C: Vorgänge in porösen Medien Transport Optimized Reactions in Single-File Networks

Projektbereich C: Vorgänge in porösen Medien Transport Optimized Reactions in Single-File Networks. IZKS Universität Bonn. FZ Jülich. Prof. Dr. Gunter M. Schütz, Mitarbeiter: Dr. Harish Ramanna. BASIC IDEA: Catalytic reactions in zeolites have low effective reactivity due to mutual

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Projektbereich C: Vorgänge in porösen Medien Transport Optimized Reactions in Single-File Networks

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  1. Projektbereich C: Vorgänge in porösen MedienTransport Optimized Reactions in Single-File Networks IZKS Universität Bonn FZ Jülich Prof. Dr. Gunter M. Schütz, Mitarbeiter: Dr. Harish Ramanna BASIC IDEA: Catalytic reactions in zeolites have low effective reactivity due to mutual blockage of reactands and reaction products in single-file transport. Suggested solution (Derouane and Gabelica, 1980): Reactands and reaction product diffuse along separate pathways (Molecular Traffic Control) Single-File diffusion Reactivity enhancement Molecular Traffic Control Phenomenon: - Diffusion and catalytic reactions in zeolite grains - Exchange of reactands and reaction products with gas phase (Nonequlibrium stationary state) • Strategy: • Molecular scale lattice model • Master equation approach • Dynamic Monte Carlo simulation • Analytical treatment • Aims: • Design suitable channel topology • Study parameter dependence • (diffusion, reaction, exchange) • Investigate different reactions Jülich, 1.8.2006

  2. IZKS Universität Bonn FZ Jülich Prof. Dr. Gunter M. Schütz, Mitarbeiter: Dr. Harish Ramanna • Achievements of first project phase: • Verification of MTC effect in nanograin BKN-model • Novel channel topology design for MTC in large grains • Up to 60% reactivity enhancement • Aims of current project phase: • Detailed study of two-component single-file diffusion • Extension of MTC to other reaction schemes • .Investigation of role of surface parameters • Preliminary Results: • Stationary phase diagram of two-component exclusion process for SFD • Implementation of cracking reaction in MTC topology Jülich, 1.8.2006

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