Eindhoven University of Technology (TU/e)

Introduction

The Schuit institute of Catalysis of the TU/e integrates catalysis from molecular chemistry towards reactor engineering. Emphasis is on the modeling of catalyst or catalysis on relevant length and timescales using advanced experimental and computational approaches. Total permanent scientific staff is 25 scientists, with 10 postdocs and 50 Ph.D. students. The institute is one of the leading catalysis centers in the Netherlands. It has founded the Netherlands Institute of Catalysis and is currently the administrative center of the prestigious Netherlands top research school “Catalysis by Design”

The role in NEXT-GTL

TU/e participates with two groups, one headed by Prof. van Santen which will focus on the theoretical modeling of relevant reaction mechanisms in WP2 (direct methane to methanol), and one headed by Associate Professor Hensen which will focus on the development and testing of the hierarchically structured aromatization catalysts in WP3. One of the unique expertises of the group of van Santen is the application of state-of-the-art computational techniques to problems in heterogeneous catalysis that deal with surface reactivity and catalyst synthesis. Many important reactions have been studies so far, e.g. the Fischer-Tropsch reaction, methane activation, ammonia oxidation, desulfurization, selective oxidation of hydrocarbons, hydrogenation and zeolite catalyzed reactions. In this project focus is on the computational study of reactivity of surfaces in contact w ith wetting liquids. Experimentally, the use of molecular precursors to prepare well-defined Ga aromatization catalysts has led to essential insights into chemistry and reactivity of alkane activation by extra framework cations in zeolites. Kinetics of coke formation is studied by an in situ mass balance which is highly relevant to the current research proposal.

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