(575c) Use of Digital Reconstruction Techniques for Optimization of Transport in Catalyst Layers

Use of Digital Reconstruction Techniques for Optimization of Transport in Catalyst Layers

M. Marek^a, P. Kocí^a, V. Novák^b

^aUniversity of Chemistry and Technology, Prague, Department of Chemical Enginnering,Technická 5, Prague, 1666 28, Czech Republic

^bJohnson Matthey Technology Centre, Blounts Court Road, Sonning Common, Reading RG4 9NH, United Kingdom

Novel mathematical models combining the use of 3D digital reconstruction techniques of industrial catalyst images and mathematical modelling will be reviewed (1-4). The methods will be demonstrated on three examples of transport and reactions in porous catalyst layers in a converter of automotive exhaust gases:

a) Description of diffusion limitation in mesopores in CO oxidation on Pt /Al2O3

b) Diffusion in multi-layer catalysts for CO and decane oxidation

c) Impact of cracks on the catalyst performance using X-ray tomography

The described virtual catalyst prototyping can be used to design porous layers with desired level of transport limitations

References

1. J. Kosek, F. Štepánek, and M. Marek. Modelling of transformation processes in porous and multiphase bodies. Adv. Chem. Eng., 30:137-203, 2005.

2. V. Novák, P. Kocí, F. Štepánek, and M. Marek. Integrated multiscale methodology for prototyping of porous catalyst. Ind. Eng. Chem. Res, 50:12904-12914, 2011.

3. V. Novák, |P. Kocí, T. Gregor, J. S. Choi, F. Štepánek, and M. Marek. Effect of cavities and cracks on diffusivity in coated catalyst layer. Cat. Today, 216:142-149, 2013.

4. M. Dudák, V. Novák, P. Kocí, M. Marek, F. Štepánek, P. Blanco-García, and G. Jones. Prediction of diffusivity and conversion of n-decane and CO in coated Pt/Al₂O₃ catalyst depending on porous layer morphology. App. Cat. B: Env., 150-151:446-458, 2014.