Dresden 2014 – wissenschaftliches Programm
O 9.6: Vortrag
Montag, 31. März 2014, 11:45–12:00, PHY C 213
From macro to micro: Kinetics of HCl oxidation on RuO2(110) — •Farnaz Sotoodeh1, Patrick Gütlein1, Irene M. N. Groot2, Joost W. M. Frenken2, and Karsten Reuter1 — 1TU München, Germany — 2Leiden University, Netherlands
A large portion of Cl2 is used in industries that produce HCl as a waste byproduct . The catalytic conversion of waste HCl back to high purity Cl2 through oxidation (Deacon process) is thus highly desirable. However, the current process is expensive since it requires the precious metal Ruthenium. As this process is important to most industries, even small improvements in its efficiency will have a global economic and environmental impact by extending catalyst life time and stability. Therefore, designing an active and stable catalyst in the sustainable Cl2 production is extremely valuable. Optimizing the catalyst activity under often “harsh” industrial implementations, requires an in-depth understanding of reaction kinetics over a wide range of operating conditions. Here, macrokinetic models including power-law and Langmuir-Hinshelwood are applied to measured activities. On the way towards microkinetics, the Langmuir-Hinshelwood kinetics is scrutinized closely by looking at elementary steps on RuO2(110) surface, with reaction barriers and binding energies of surface species calculated using DFT. The adaptability of the examined models are compared to available ones  where the model parameters were estimated by fitting to a restricted range of operating conditions.
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