2023 –
C. Ferroni, M. Ambrosetti, M. Bracconi, M. Maestri, G. Groppi, E. Tronconi, Coupling Cellular Substrates and Radial Flow Reactors for enhanced exhaust abatement in automotive DeNOx-SCR, Chemical Engineering Journal, 467 (2023) 143349
R. Uglietti, D. Micale, A. Goulas, D. Lazara, L. Nardi, M. Bracconi, R. Van Ommen, M. Maestri, A combined experimental and multiscale modeling approach for the investigation of lab-scale fluidized bed reactors, Reaction Chemistry and Engineering, 8 (2023) 2029
V. K. Velisojua, S. R. Kulkarnia, M. Cuia, P. Paalanenb, J. Rabeahc, M. Maestri, A. Brücknerc, J. Ruiz-Martinez, P. Castaño, Multi-technique operando methods and instruments to assess catalyst structure, performance, dynamics, and kinetics simultaneously, Chem. Catalysis, 3 (2023) 100666
F. Serse, Z.B. Ding, M. Bracconi, M. Maestri, A. Nobili, C. Giudici, A. Frassoldati, T. Faravelli, A. Cuoci, M. Pelucchi, A comprehensive kinetic framework for solid carbon deposition and hydrogen production from the pyrolysis of light hydrocarbons streams, 2023, Carbon Trends, 11 (2023) 100263
G. Contaldo, M. Ferri, C. Negri, I. Nova, M. Maestri, E. Tronconi, First-principles assessment of the Role of Water in the Reduction Half Cycle of Low-Temperature NH3-SCR over Cu-CHA, ChemCatChem, 15 (2023) e202300673
C. Giudici, F. Serse, A. Nobili, M. Bracconi, M. Maestri, M. Pelucchi, Catalytic and non-catalytic chemical kinetics of hydrocarbons cracking for hydrogen and carbon materials production, Advances in Chemical Engineering, 61 (2023) 1–62
K. Niyogi, D. Micale, D. Cafaro, M. Bracconi, M. Maestri, Fluid dynamics aspects and reactor scale simulations of chemical reactors for turquoise hydrogen production, Advances in Chemical Engineering, 61 (2023) 63–132
C. Ferroni, M. Bracconi, M. Ambrosetti, G. Groppi, M. Maestri, H.J. Freund, E. Tronconi, Process intensification in mass-transfer limited catalytic reactors through anisotropic Periodic Open Cellular Structures, Chemical Engineering and Processing – Process Intensification, 2023, accepted
Negri, R. Colombo, M. Bracconi, C. Atzori, A. Donazzi, A. Lucotti, M. Tommasini, and M. Maestri, Monitoring Au nanoparticle dynamics by UV-Vis operando spectroscopy: an application to CO2 activation on Au via reverse water gas shift, submitted
Moroni, G. Delen, M. Monai, A. Donazzi, B. Weckhuysen, and M. Maestri, Unraveling carbon deposition during methane dry reforming on Rh by kinetic studies and multiscale operando characterization, submitted
D. Micale, M. Bracconi, M. Maestri, Increasing computational efficiency of CFD simulations of reactive flows at surfaces through Dynamic Load Balancing, submitted
M. Ferri, R. Cheula, M. Monai, B. M. Weckhuysen, M. Maestri, Cross-talking of Ni nanoparticle facets explains the structure sensitivity of the CO2 methanation reaction, in preparation
G. Moroni, L. Nardi, R. Colombo, C. Negri, M. Maestri, Microkinetic modeling of the deactivation of CH4 dry-reforming on Rh-based catalysts, in preparation
L. Nardi, R. Colombo, M. Maestri, Identity and partial equilibrium of elementary steps in r-WGS on Rh and Pt based catalysts, in preparation
D. Cafaro, D. Micale, R. Uglietti, W. Kaiqiao, M. Bracconi, M.-O. Coppens, M. Maestri Assessment of the operability range of catalytic dynamically structured gas-solid fluidized bed reactors, in preparation
2022 –
R. Cheula and M. Maestri, “Nature and identity of the active site via structure-dependent microkinetic modeling: an application to WGS and reverse WGS reactions on Rh”, Catalysis Today, 387 (2022) 159
D. Micale, C. Ferroni, R. Uglietti, M. Bracconi and M. Maestri, Computational fluid dynamics of reacting flows at surfaces: methodologies and applications (Review), Chemie Ingenieur Technik, 94 (2022) 634
C. Ferroni, F. Sascha Franchi, M. Ambrosetti, M. Bracconi, G. Groppi, M. Maestri, and E. Tronconi, Numerical and Experimental Investigation of Pressure Drop in Periodic Open Cellular Structures for Intensification of Catalytic Processes, ACS Engineering Au, 2 (2022) 118-133
A. Locaspi, M. Ferri, M. Maestri, M. Pelucchi, Chemical kinetics of catalytic/non-catalytic pyrolysis and gasification of solid plastic wastes, Advances in Chemical Engineering, 60 (2022) 21–76
V. Surendran, M. Bracconi, M. Maestri, J. Kopyscinski, Assessment of a catalytic plate reactor with in-situ sampling capabilities by means of CFD modeling and experiments, Chemical Engineering Journal, 2022, accepted
D. Wehinger, M. Ambrosetti, R. Cheula, Z.-B. Ding, M. Isoz, B. Kreitz, K. Kuhlmann, M. Kutscherauer, K. Niyogi, J. Poissonnier, R. Réocreux, D. Rudolf, J. Wagner, R. Zimmermann, M. Bracconi, H.J. Freund, U. Krewer, and M Maestri, Quo vadis multiscale modeling in reaction engineering? – A perspective, 2022, submitted
2021 –
M.I. Alam, R. Cheula, G. Moroni, L. Nardi and M. Maestri, Mechanistic and multiscale aspects of the thermo-catalytic CO2 conversion to C1 products (Review), Catalysis Science and Technology, 11 (2021) 6601
R. Cheula, M. D. Susman, D. H. West, S. Chinta, J. D. Rimer, M. Maestri, Local Ordering of Molten Salts at NiO Crystal Interfaces Promotes High-index Faceting, Angewandte Chemie Int. Ed., 60 (2021) 25391
C. Ferroni, M. Bracconi, M. Ambrosetti, M. Maestri, G. Groppi, E. Tronconi, A fundamental investigation of gas/solid heat and mass transfer in structured catalysts based on Periodic Open Cellular Structures (POCS), 2021, Industrial & Engineering Chemistry Research, accepted
M. Vyshnepolsky, P. Tesarik, Z.B. Ding, M. Maestri, K. Morgenstern, A sub-nanoscale view on surface poisoning during femtochemical CO2 dissociation, Angewandte Chemie Int. Ed., 60 (2021) 18217
T. Chen, P. Desir, M. Bracconi, B. Saha, M.Maestri, D.G. Vlachos, Liquid-Liquid Microfluidic Flows for Ultrafast 5-hydroxymethyl Furfural Extraction, Industrial & Engineering Chemistry Research, 60 (2021) 3723–3735
D. Micale, R. Uglietti, M. Bracconi and M. Maestri, Coupling Euler-Euler and microkinetic modeling for the simulation of fluidized bed reactors: an application to the Oxidative Coupling of Methane, Industrial & Engineering Chemistry Research, 60 (2021) 6687–6697
2020 –
M. Bracconi, M. Ambrosetti, M. Maestri, G. Groppi, E. Tronconi, Analysis of the effective thermal conductivity of isotropic and anisotropic Periodic Open Cellular Structures for the intensification of catalytic processes, Chemical Engineering and Processing – Process Intensification, 158 (2020) 108169
M. Bracconi and M. Maestri, “Training set design for Machine Learning techniques applied to the approximation of computationally intensive first principles kinetic models”, Chemical Engineering Journal, 400 (2020) 125469
R. Cheula, M. Maestri, G. Mpourmpakis, “Modeling morphology and catalytic activity of nanoparticle ensembles under reaction conditions”, ACS Catalysis, 10 (2020) 6149 (cover)
A. Donazzi, G. Cordaro, A. Baricci, Z.B. Ding, M. Maestri, A detailed kinetic model for the reduction of oxygen on LSCF-GDC composite cathodes, Electrochimica Acta, 335 (2020) 135620
P. Desir, T.Y. Chen, M. Bracconi, M. Maestri, D.G. Vlachos, “Experiments and Computations of Microfluidic Liquid-Liquid Flow Patterns”, Reaction Chemistry & Engineering, 5 (2020) 539 (back cover)
M. Ambrosetti, M. Bracconi, M. Maestri, G. Groppi, E. Tronconi, “Packed foams for the intensification of catalytic processes: assessment of packing efficiency and pressure drop using a combined experimental and numerical approach”, Chemical Engineering Journal, 382 (2020) 122801
R. Uglietti, M. Bracconi, M. Maestri, “Development and assessment of speed-up algorithms for the reactive CFD-DEM simulation of fluidized bed reactors”, Reaction Chemistry & Engineering, 5 (2020) 278 (inside front cover)
2019 –
Z.B. Ding and M. Maestri, “Development and assessment of a criterion for the application of Brønsted-Evans-Polanyi relations for dissociation catalytic reactions at surfaces”, Industrial & Engineering Chemistry Research, 58 (2019) 9864
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
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, 2019 (2019) 19691
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
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.