List of publications

2019 –

Z.B. Ding, M. Tommasini, and M. Maestri, “A Topological Model for predicting the Adsorption Energies of Polycyclic Aromatic Hydrocarbons on Late-Transition Metal Surfaces”, Reaction Chemistry and Engineering, 4 (2019) 410

2018 –

M. Bracconi, M. Ambrosetti, O. Okafor, V. Sans, X. Zhang, Xiaoxia Ou, C. Pereira Da  Fonte, X. Fan, M. Maestri, G. Groppi, E. Tronconi, “Investigation of pressure drop in 3D replicated open-cell foams: coupling CFD with experimental data on additively manufactured foams”, Chemical Engineering Journal, in press, https://doi.org/10.1016/j.cej.2018.10.060

Z. B. Ding, E. Di Marco, M. Pelucchi, T. Faravelli, M. Maestri, First-principles assessment of the analogy between gas phase and gas-solid H-abstraction reactions at graphene edges, 2018, Chemical Engineering Journal, in press, https://doi.org/10.1016/j.cej.2018.08.077

M. Bracconi, M. Ambrosetti, M. Maestri, G. Groppi, E. Tronconi, A fundamental investigation of gas/solid mass transfer in open-cell foams using a combined experimental and CFD approach, Chemical Engineering Journal, 352 (2018) 558-571

M. Maestri and E. Iglesia, First-principles theoretical assessment of catalysis by confinement: NO-O2 reactions within voids of molecular dimensions in siliceous crystalline frameworks, Physical Chemistry Chemical Physics, 20 (2018) 15725-15735

S. Rebughini, M. Bracconi, A.G. Dixon, M. Maestri, A hierarchical approach to chemical reactor engineering: an application to micro packed-bed reactors, Reaction Chemistry and Engineering, 2 (2018) 25-33 (inside front cover)

M. Bracconi, M. Ambrosetti, M. Maestri, G. Groppi, E. Tronconi, A fundamental analysis of the influence of the geometrical properties on the effective thermal conductivity of open-cell foams, Chemical Engineering & Processing: Process Intensification, 129 (2018) 181-189

R. Cheula, A. Soon, M. Maestri, Prediction of morphological changes of catalyst materials in reacting conditions by combined ab initio thermodynamics and microkinetic modeling, Catalysis Science and Technology, 8 (2018) 3493 (inside front cover – hot article 2018)

R. Uglietti, M. Bracconi, M. Maestri, Coupling CFD-DEM and microkinetic modeling of surface chemistry for the simulation of catalytic fluidized systems, Reaction Chemistry and Engineering, 3 (2018) 527-539

2017 – 

S. Rebughini, A. Cuoci, A. G. Dixon, M. Maestri, Cell agglomeration algorithm for coupling microkinetic modeling and steady-state CFD simulations of catalytic reactors, Computers and Chemical Engineering, 97 (2017) 175-182

M. Bracconi, A. Cuoci, M. Maestri, In-situ adaptive tabulation for the CFD simulation of heterogeneous reactors based on operator-splitting algorithm, AIChE Journal, 63 (2017) 95-104

M. Maestri, Structure-dependent microkinetic modeling: Towards the nano-engineering of heterogeneous catalytic processes, Chemistry Today, 35 (2017) 52-53

M. Bracconi, M. Ambrosetti, M. Maestri, G. Groppi, E. Tronconi, A systematic procedure for the virtual reconstruction of open-cell foams, Chemical Engineering Journal, 315 (2017) 608-620

M. Maestri, Escaping the trap of complication and complexity in multiscale microkinetic modelling of heterogeneous catalytic processes, ChemComm, 53 (2017) 10244-10254

Z.B. Ding, M. Tommasini, M. Maestri, First-principles simulation of Raman spectra of adsorbates on metal surfaces, ChemPlusChem, 82 (2017) 924-932

A. Maghsoumi, A. Ravanelli, F. Consonni, F. Nanni, A. Lucotti, M. Tommasini, A. Donazzi, and M. Maestri, Design and testing of an operando-Raman annular reactor for kinetic studies in heterogeneous catalysis, Reaction Chemistry and Engineering, 2 (2017) 908 – 918

2016 – 

T. Maffei, G. Gentile, S. Rebughini, F. Manelli, S. Lipp, A. Cuoci, M. Maestri, A multiregion operator-splitting CFD approach for coupling microkinetic modeling with internal porous transport in heterogeneous catalytic reactors, Chemical Engineering Journal, 283 (2016) 1392-1404

S. Rebughini, A. Cuoci, M. Maestri, Handling Contact Points in Reactive CFD Simulations of Heterogeneous Catalytic Fixed Bed Reactors, Chemical Engineering Science, 141 (2016) 240-249

A. Donazzi, M. Rahmanipour, M. Maestri, G. Groppi, L. Bardini, A. Pappacena, M. Boaro, Experimental and model analysis of the co-oxidative behavior of syngas feed in an Intermediate Temperature Solid Oxide Fuel Cell, Journal of Power Sources, 306 (2016) 467-480

S. Rebughini, A. Cuoci, M. Maestri, Hierarchical analysis of the gas-to-particle heat and mass transfer in micro packed bed reactors, Chemical Engineering Journal, 289 (2016) 471–478

A. Donazzi, M. Maestri, G. Groppi, A multistep model for the kinetic analysis of the impedance spectra of a novel mixed ionic and electronic conducting cathode, Electrochimica Acta, 222 (2016) 1029-1044

2015 – 

L. Dietz, S. Piccinin, M. Maestri, First-principles assessment of CO2 activation pathways over metal catalysts, 2015, J. Phys. Chem. C, 119 (2015) 959–4966

F. Karst, M. Maestri, H. Freund, K. Sundmacher, Reduction of Microkinetic Reaction Models for Reactor Optimization exemplified for Hydrogen Production from Methane, Chemical Engineering Journal, 281 (2015) 981-994

2014 – 

D. Pagani, D. Livio, A. Donazzi, M. Maestri, A. Beretta, G. Groppi, and P. Forzatti, A kinetic investigation of the Catalytic Partial Oxidation of propylene over a Rh/Al2O3 catalyst, Industrial and Engineering Chemistry Research, 53 (2014) 1804–1815

M. Maestri, D. Livio, A. Beretta, G. Groppi, Hierarchical refinement of complex microkinetic models: assessment of the role of WGS and r-WGS pathways in CH4 Partial Oxidation on Rh, Industrial and Engineering Chemistry Research, 53 (2014) 10914-10928

T. Maffei, S. Rebughini, G. Gentile, S. Lipp, A. Cuoci and M. Maestri, CFD Analysis of the Channel Shape Effect in Monolith Catalysts for the CH4 Partial Oxidation on Rh, Chemie Ingenieur Technik, 86 (2014) 1099-1106

S. Matera, M. Maestri, A. Cuoci, K. Reuter, Coupling kinetic Monte Carlo simulations and CFD in heterogeneous catalysis, ACS Catalysis, 4 (2014) 4081–4092

F. Karst, H.J. Freund, M. Maestri, K. Sundmacher, Multiscale Chemical Process Design Exemplified for a PEM Fuel Cell Process, Chemie Ingenieur Technik, 86 (2014) 2075–2088

2013 – 

M. Maestri and A. Cuoci, Coupling CFD with detailed microkinetic modeling in heterogeneous catalysis, Chemical Engineering Science, 96 (2013) 106-117

2012 – 

M. Maestri, K. Reuter, Molecular-level understanding of WGS and reverse WGS reactions on Rh through hierarchical multiscale approach, Chemical Engineering Science, 74 (2012) 296-299

D. Pagani, D. Livio, A. Donazzi, A. Beretta, G. Groppi, M. Maestri, E. Tronconi, A kinetic analysis of the partial oxidation of propane over a 2% Rh/Al2O3 catalyst in annular microreactor, Catalysis Today, 197 (2012) 266-280

2011 –

A. Donazzi, M. Maestri, A. Beretta, G. Groppi, E. Tronconi, P. Forzatti, Microkinetic analysis of CH4-CPO tests with CO2-diluted feed streams, Applied Catalysis A: General, 391 (2011) 350 – 359

M. Maestri and K. Reuter, Semi-empirical rate constants for complex chemical kinetics: first principles assessment and rational refinement, Angewandte Chemie Int. Ed., 50 (2011) 1194 – 1197

A. Donazzi, D. Livio, M. Maestri, A. Beretta, G. Groppi, E. Tronconi, P. Forzatti, Synergy of homogenous and heterogeneous chemistry probed by in-situ spatially resolved measurements of temperature and composition, Angewandte Chemie Int. Ed., 50 (2011) 3943 – 3946

A. Beretta, A. Donazzi, D. Livio, M. Maestri, G. Groppi, E. Tronconi, P. Forzatti, Optimal design of a CH4 CPO-reformer with honeycomb catalyst: combined effect of catalyst load and channel size, Catalysis Today, 171 (2011) 79 – 83

2010 – 

A. Donazzi, M. Maestri, B.C. Micheal, A. Beretta, P. Forzatti, G. Groppi, E. Tronconi, L.D. Schmidt, D.G. Vlachos, Microkinetic modeling of spatially resolved autothermal CH4 CPO experiments over Rh-coated foams, Journal of Catalysis, 275 (2010) 270 – 279

2009 – 

G.D. Stefanidis, D.G. Vlachos, N.K. Kaisare, M. Maestri, Methane steam reforming at microscale: Operation strategies for variable power output at millisecond contact times, A.I.Ch.E. Journal, 55 (2009) 180-191

M. Maestri, D.G. Vlachos, A. Beretta, G. Groppi, E. Tronconi, A C1 microkinetic model for the CH4 conversion to syngas on Rh, A.I.Ch.E. Journal, 55 (2009) 993 – 1008

M. Maestri, D.G. Vlachos, A. Beretta, P. Forzatti, G. Groppi, E. Tronconi, Dominant reaction pathways in the catalytic partial oxidation of methane on Rh, Topics in Catalysis, 52 (2009) 1983 – 1988

2008 – 

M. Maestri, A. Beretta, G. Groppi, T. Faravelli, E. Tronconi, D.G. Vlachos, Two-dimensional detailed modeling of H2 fuel rich combustion over Rh/Al2O3 catalyst, Chemical Engineering Science, 63 (2008) 2657-2669.

M. Maestri, D.G. Vlachos, A. Beretta, G. Groppi, E. Tronconi, Steam and Dry Reforming of Methane on Rh: microkinetic analysis and hierarchy of kinetic models, Journal of Catalysis, 259 (2008) 211-222

2007 –

I. Tavazzi, A. Beretta, G. Groppi, M. Maestri, E. Tronconi, P. Forzatti, Experimental and modeling analysis of the effect of catalyst aging on the performance of a short contact time adiabatic CH4-CPO reactor, Catalysis Today, 129 (2007) 372–379.

I. Tavazzi, A. Beretta, G. Groppi, A. Donazzi, M. Maestri, E. Tronconi, P. Forzatti, Catalytic partial oxidation of CH4 and C3H8: experimental and modeling study of the dynamic and steady state behavior of a pilot-scale reformer, in Studies in Surface Science and Catalysis, 67 (2007) 319–324.

M. Maestri, A. Beretta, G. Groppi, T. Faravelli, E. Tronconi, Role of gas-phase chemistry in the rich combustion of H2 and CO over a Rh/Al2O3 catalyst in annular reactor, Chemical Engineering Science, 62 (2007) 4992–4997.

2006 – 

I. Tavazzi, M. Maestri, A. Beretta, G. Groppi, E. Tronconi, P. Forzatti, Steady state and transient analysis of a CH4 catalytic partial oxidation reformer, A.I.Ch.E. Journal, 52 (2006) 3234–3245.

2005 –

M. Maestri, A. Beretta, G. Groppi, E. Tronconi, P. Forzatti, Comparison among structured and packed-bed reactors for the catalytic partial oxidation of methane to syngas, Catalysis Today, 105 (2005) 709–717.

M. Maestri, A. Beretta, G. Groppi, E. Tronconi, P. Forzatti, Modelling of fixed-bed reactors for the catalytic partial oxidation of methane to syngas: a comparison among structured and packed bed reactors, Chemical Engineering Transactions, S. Pierucci Editor, 6 (2005), 13–18, AIDIC, Milano, Italy. ISBN 88-900775-7-3.