[CCoE Notice] SABIC Seminar Series - 3/8

[Knudsen, Rachel W]

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[On the Challenges of Using Micro Kinetics in Simulation of Technical Reactors: Emission Control of IC Engines  and Solid-Oxide Cells]
[Olaf Deutschmann Professor   Karlsruhe Institute of Technology, Germany  Friday, March 8, 2019, 10:30 am Cemo Hall room 100D]
[The enormous progress in microscopic and spectroscopic techniques as well as in theoretical chemistry and computations have led to a fundamental understanding of the mechanisms of many heterogeneous catalytic and electro-catalytic reactions. The challenge today often consists in the transfer of knowledge from the microscopic, laboratory scale into the macroscopic, real world scale, because in technical reactors the chemical object may significantly differ from the model system, change its state and structure in operando, and interacts with mass and heat transfer processes. The implementation of molecular models into simulations of technical processes is anything but straight-forward. This seminar discusses the development, evaluation, potentials and limitations of reaction kinetics suitable for the integration into computational tools for the simulationof technical devices. This research benefits from methods in data analysis, for instance by using CaRMeN [1], a novel tool for archiving, analysis, and development of reaction kinetics.     Olaf Deutschmann holds the Chair in Chemical Technology at the Karlsruhe Institute of Technology (KIT), Germany. He is director at the Institute for Chemical Technology and Polymer Chemistry (University) and at the Institute of Catalysis Research and Technology (National Lab) at KIT. He serves as speaker of the Helmholtz Research School Energy-Related Catalysis. His group works on heterogeneous reactions for the synthesis of chemicals and materials, reduction of pollutant emissions, combustion, and energy conversion by fuel and electrolysis cells. Special focuses are given to the kinetics of catalytic reactions and their interactions with reactive flows. The software packages DETCHEMTM and CaRMeN were developed under his guidance. Olaf Deutschmann studied physics and chemistry in Magdeburg, Berlin, and Heidelberg. In 1996, he obtained his doctoral degree (chemistry) from Heidelberg University supervised by Jürgen Warnatz.]
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Thank you,
Nicolette Solano
Administrative Assistant to M.D. Anderson Professor and Chair Michael Harold
University of Houston
Dept of Chemical and Biomolecular Engineering
Engineering Building 1, room S222
(713) 743-4304

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