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CFD of reacting flows at surfaces: methodologies and applications
June 21 @ 10:00 am - 11:00 am
In this talk, I will present the main achievements of my group in developing methodologies and strategies for the solution of the Navier-Stokes equations of reacting flows in complex and general geometries with a detailed microkinetic description of the surface reactivity based on electronic structure calculations both at the level of mean-field approximation and kinetic Monte Carlo simulations [1,2]. I will show the numerical methodologies and speed-up techniques both in the context of fixed-bed and fluidized catalytic reactors [3,4]. Hierarchical methodologies will be also presented as an effective way to bring the detailed understanding of the CFD methods to systems of practical relevance . All these methodologies and methods are part of the numerical suite catalyticFOAM  – fully developed since 2010 by my group in the framework of openFOAM® – which represents the enabling tool for the detailed multiscale simulation of heterogeneous catalytic systems. On the whole, this computational multiscale environment connects a variety of models from ab-initio calculations at the microscale to finite volume simulations at the macroscale, thus providing a bridge between fundamental and engineering sciences and paving the way for solving problems not addressable by individual methodologies and existing codes. M. Maestri and A. Cuoci, Chem. Eng. Sci., 96 (2013) 106 – www.catalyticfoam.polimi.it
 S. Matera, M. Maestri, A. Cuoci, K. Reuter, ACS Catal. 4 (2014) 4081
 M. Bracconi, A. Cuoci and M. Maestri, AIChE J. 63 (2017) 95
 S. Rebughini, M. Bracconi, A.G. Dixon and M. Maestri, React. Chem. Eng., 3 (2018) 25
 R. Uglietti, M. Bracconi and M. Maestri, React. Chem. Eng., 3 (2018) 527
Matteo Maestri (Ph. D., PoliMI, 2008) is a Full Professor of Chemical Engineering at the Politecnico di Milano, Italy. He has been visiting scholar at the University of Delaware, USA (2006-2007), Alexander von Humboldt Fellow and at the Fritz-Haber-Institut in Berlin, Germany (2009-2010) and at the TUM, Germany (2011). His main research interests are fundamental analysis of catalytic kinetics and multiscale modeling of catalytic processes. He has been the recipient of several awards at international conferences and in 2015 he has been awarded the ERC Starting Grant by the European Research Council. In 2017 he has been included in the list of Italy’s best “under 40” researchers working both in Italy and abroad, by CARTADITALIA – Istituto Italiano di Cultura, Brussels.