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Catalysts on Demand….

Catalysts on Demand…. An absurd research project?. by C. Kirschhock. Claim: Structure determination is the key to build catalysts on demand. Task 1 structure activity. Claim: Structure determination is the key to build catalysts on demand. Task 2 Molecular template effect.

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Catalysts on Demand….

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  1. Catalysts on Demand…. An absurd research project? by C. Kirschhock

  2. Claim: Structure determination is the key to build catalysts on demand

  3. Task 1structureactivity Claim: Structure determination is the key to build catalysts on demand Task 2Moleculartemplate effect Task 3Supramolecular template effect

  4. 0.05 EU3 2000 0.04 Task 1structureactivity Engine measures Basis 0.03 DPF PM emission (g/km) EU4 2005 0.02 0.01 EU5 2008 0 0 0.1 0.2 0.3 0.4 0.5 0.6 NOx + HC emission (g/km) What is the demand? EU regulations of diesel vehicle emissions DENOX Develop reversible NOx storage

  5. Task 1structureactivity One material was discovered to work: Analyze structure by powder diffraction Develop reversible NOx storage

  6. Desorption 1200 Adsorption Flush with air NOx NOx 1000 800 NO NO 600 C / ppm NO2 400 NO2 200 15 20 25 30 35 40 0 5 10 0 t / min Task 1structureactivity Saturate with car exhaust 250C Develop reversible NOx storage

  7. Task 1structureactivity Catalysts on Demand…. an absurd research project? New! Try replacement of Na by cations with preference for polynuclear complexation Optimize reversible NOx storage

  8. Structure analysis helps optimizing catalysts… Task 1structureactivity Task 2Moleculartemplate effect … what about creating new inorganic framework materials?

  9. TPA Such inorganic molecules can be studied by: Liquid / solid state NMR IR spectroscopy Raman spectroscopy Neutron spectroscopy (Depolarized) Dynamic Light Scattering Small Angle Xray Scattering Chromatography … Task 2Moleculartemplate effect Template effect = formation of specific structures due to a structurizing agent

  10. 7 6 5 4 3 Hydrodynamische diameter (nm) 2 2 uur 1 85 dagen 0 0 0.5 1 1.5 2 2.5 3 piperidine/TEOS molverhouding Task 2Moleculartemplate effect Current! DLS 85 d HMI PIP

  11. Task 2Moleculartemplate effect TMA Methyl- TPA TBA Propyl- Butyl- PIP HMI Cyclic literature our work our current work The discovery of these chalicesallows derivation of the mechanism of formation of several zeolite strucures New!

  12. bulky templates like HMI small templates like PIP HMI PIP Task 3Supramolecular template effect Current!

  13. Task 3Supramolecular template effect TPA

  14. aggregation collective formation Task 3Supramolecular template effect Current! Depolarized DLS Ordered Liquid Phases TPA

  15. Task 3Supramolecular template effect NEW MATERIALS!

  16. Task 1structureactivity Claim: Structure determination is the key to build catalysts on demand … and allows assembly of new inorganic framework materials Task 2Moleculartemplate effect Structure analysis helps understanding catalysts… Task 3Supramolecular template effect

  17. conclusion The examples of my current research activies hopefully could demonstrate that the absurd ambition to create CatalystsonDemand can be approached somewhere in the future. I hope my contribution to this research area will help along the way. “If at first the idea is not absurd, then there is no hope for it” Albert Einstein

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