The CRECK Modeling Group

Detailed kinetic mechanisms and CFD of reacting flows

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Matteo Pelucchi

Assistant Professor (RTDA)

Department of Chemistry, Materials, and Chemical Engineering, Politecnico di Milano

Phone: +390223994234

Fax: +390270638173

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Research interests

My research activity focuses on the kinetic modeling of pyrolysis and combustion of fossil and biofuels, and of pollutants formation (e.g. NOx, particulate matter). In particular, my current research activities cover the following fields:

  • Development and assessment of detailed kinetic mechanisms
  • Lumping of kinetic mechanisms
  • Theoretical Calculation of Rate constants in gas-phase and heterogeneous phase
  • Experimental measurements of Ignition Delay times in Shock Tubes and Rapid Compression Machines (in collaboration with Combustion Chemistry Centre, National University of Ireland, Galway)
  • Automatic model development and validation
  • Data analysis
  • Chemical recycling of solid plastic waste

Education profile

  • October 2017-present: Assistant Professor at Politecnico di Milano
  • November 2016 – October 2017: Postdoctoral researcher at Politecnico di Milano
  • January 2016 – August 2016: Visiting Graduate at Argonne National Laboratory, IL, USA (Dr. S.J. Klippenstein)
  • November 2013 – October 2016: Ph.D. in Industrial Chemistry and Chemical Engineering at Politecnico di Milano (Supervisor: Prof. Tiziano Faravelli)
  • June 2013 – November 2013: Research Grant at Politecnico di Milano for the development of detailed chemical kinetic models to describe the oxidation
  • March 2012 – August 2012: Visiting student in the research group of Prof. Henry Curran, Combustion Chemistry Centre, National University of Ireland, Galway, Ireland. Experimental (Shock Tubes and Rapid Compression Machines) and kinetic modeling activity for the development of the Master Thesis.
  • 2010 – 2013: Master Degree in Chemical Engineering at the Politecnico di Milano (April 2013). Thesis title: "Experimental and kinetic modeling study of n-butanal and n-pentanal auto-ignition in shock tubes". Advisors: Prof. Tiziano Faravelli, Prof. Henry Curran and Prof. Eliseo Ranzi.
  • 2007 – 2010: Bachelor Degree in Chemical Engineering at the Politecnico di Milano (September 2010). Thesis title: "Modelli di surrogati per combustibili aeronautici" [Surrogate models for avio-fuels]. Advisors: Prof. Tiziano Faravelli and Prof. Alberto Cuoci.

 

Recent publications

2020

  • M. Pelucchi*, C. Cavallotti, E. Ranzi, A. Frassoldati, P. Glarborg, T. Faravelli “Theoretical and kinetic modelling study of chloromethane (CH3Cl) pyrolysis and oxidation.” International Journal of Chemical Kinetics, 2020, in press.
  • M. Pelucchi*, S. Namysl, E. Ranzi, A. Rodriguez, C. Rizzo, K. P. Somers, Y. Zhang, O. Herbinet, H.J. Curran, F. Battin-Leclerc, T. Faravelli “Combustion of n-C3–C6 linear alcohols: an experimental and kinetic modeling study. Part II: speciation measurement in a jet stirred reactor, ignition delay time measurement in a rapid compression machine, model validation and kinetic analysis” Energy and Fuels, in press, available online
  • M. Pelucchi*, S. Namysl, E. Ranzi, A. Rodriguez, C. Rizzo, K. P. Somers, Y. Zhang, O. Herbinet, H.J. Curran, F. Battin-Leclerc, T. Faravelli “Combustion of n-C3–C6 linear alcohols: an experimental and kinetic modeling study. Part I: reaction classes, rate rules, model lumping and validation.” Energy and Fuels, in press, available online
  • L. Pratali Maffei, C. Cavallotti, T. Faravelli, M. Pelucchi* “Electronic Structure-based rate rules for Ḣ ipso addition-elimination reactions on mono-aromatic hydrocarbons with single and double OH/CH3/OCH3/CHO/C2H5 substituents: a systematic theoretical investigation” Physical Chemistry Chemical Physics, 2020. DOI: 10.1039/D0CP03099F
  • L. Pratali Maffei, M. Pelucchi, T. Faravelli, C. Cavallotti “Theoretical Study of Sensitive Reactions in Phenol Decomposition” Reaction Chemistry and Engineering, 2020, DOI: 10.1039/C9RE00418A.
  • G. Bagheri, E. Ranzi, M. Pelucchi, A. Parente, A. Frassoldati, T. Faravelli “Comprehensive kinetic study of combustion technologies for low environmental impact: MILD and OXY-fuel combustion of methane” Combustion and flame, 2020. DOI: 10.1016/j.combustflame.2019.10.014
  • S. Namysl, M. Pelucchi, L. Pratali Maffei, O. Herbinet, A. Stagni, T. Faravelli, F. Battin-Leclerc “Experimental and modeling study of benzaldehyde oxidation” Combustion and Flame, 2020, DOI: 10.1016/j.combustflame.2019.09.024

2019

  • M. Pelucchi, L. Cai, W. Pejpichestakul, R. Tripathi, S.W. Wagnon, K. Zhang, M. Raju, M. Mehl, T. Faravelli, W. J. Pitz, H. Pitsch, H. Curran, P. K. Senecal “Computational Chemistry Consortium: Surrogate Fuel Mechanism Development, Pollutants Submechanisms and Components Library”, SAE Technical Paper, 2020, DOI:10.4271/2019-24-0020
  • M. Pelucchi, C. Cavallotti, A. Cuoci, T. Faravelli, A. Frassoldati, E. Ranzi “Detailed kinetics of substituted phenolic species in pyrolysis bio-oils”, Reaction Chemistry and Engineering, 2019, Royal Society of Chemistry.  DOI: 10.1039/C8RE00198G
  • S. Namysl, M. Pelucchi, O. Herbinet, A. Frassoldati, T. Faravelli, F. Battin-Leclerc “A first evaluation of butanoic and pentanoic acid oxidation kinetics”, Chemical Engineering Journal, 2019, Elsevier. DOI: 10.1016/j.cej.2019.05.090.
  • M. Pelucchi, A. Stagni, T. Faravelli “Addressing the complexity of combustion kinetics: Data management and automatic model validation” in “Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion” Computer Aided Chemical Engineering, 2019, Elsevier. DOI: 10.1016/B978-0-444-64087-1.00015-2
  • C. Cavallotti, M. Pelucchi, Y. Georgievskii, S.J. Klippenstein, “EStokTP: Electronic Structure to Temperature and Pressure Dependent Rate Constants; A Code for Automatically Predicting the Thermal Kinetics of Reactions”, Journal of Chemical Theory and Computation, 2019, American Chemical Society. DOI: 10.1021/acs.jctc.8b00701
  • W. Pejpichestakul, A. Cuoci, A. Frassoldati, M. Pelucchi, A. Parente, T. Faravelli. “Buoyancy effect in sooting laminar premixed ethylene flame”, Combustion and Flame, 2019, Elsevier. DOI: 10.1016/j.combustflame.2019.04.001.
  • M. Keçeli, S. Elliott, Y-P Li, M. Johnson, C. Cavallotti, Y. Georgievskii, W.H. Green, M. Pelucchi, J.M. Wozniak, A.W. Jasper, S.J. Klippenstein “Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics” Proceedings of the Combustion Institute, 2019, Elsevier
  • W. Pejpichestakul, E. Ranzi, M. Pelucchi, A. Frassoldati, A. Cuoci, A. Parente, T. Faravelli, “Examination of a soot model in premixed laminar flames at fuel-rich conditions” Proceedings of the Combustion Institute, 2019, Elsevier
    • DOI: 10.1016/j.proci.2018.06.104
  • M. Pelucchi, S. Namysl, E. Ranzi, A. Frassoldati, O. Herbinet, F. Battin-Leclerc, T. Faravelli, “An experimental and kinetic modelling study of n-C4-C6 aldehydes oxidation in a jet-stirred reactor” Proceedings of the Combustion Institute, 2019, Elsevier
    • DOI: 10.1016/j.proci.2018.07.087
  • C. Cavallotti, M. Pelucchi, A. Frassoldati, “Analysis of acetic acid gas phase reactivity: Rate constant estimation and kinetic simulations” Proceedings of the Combustion Institute, 2019, Elsevier
  • Mairinger, A. Frassoldati, A. Cuoci, M. Pelucchi, E. Pucher, K. Seshadri “Experimental and computational investigation of autoignition of jet fuels and surrogates in nonpremixed flows at elevated pressures” Proceedings of the Combustion Institute, 2019, Elsevier. DOI: 10.1016/j.proci.2018.06.224
  • Bagheri, M. Lubrano Lavadera, E. Ranzi, M. Pelucchi, P. Sabia, M. de Joannon, T. Faravelli. “Thermochemical oscillation of methane MILD combustion diluted with N2/CO2/H2O” Combustion Science and Technology, 2019. DOI: 10.1080/00102202.2018.1452411

 2018

  • C CavallottiM PelucchiY GeorgievskiiS J Klippenstein, “EStokTP: Electronic Structure to Temperature and Pressure Dependent Rate Constants; A Code for Automatically Predicting the Thermal Kinetics of Reactions” Journal of Chemical Theory and Computation, 2018. DOI: 1021/acs.jctc.8b00701
  • G Mairinger, A Frassoldati, A Cuoci, M Pelucchi, E Pucher, K Seshadri “Experimental and computational investigation of autoignition of jet fuels and surrogates in nonpremixed flows at elevated pressuresProceedings of the Combustion Institute, 2018
  • ZB 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 edgesChemical Engineering Journal, 2018
  • M Pelucchi, S Namysl, E Ranzi, A Frassoldati, O Herbinet, F Battin-Leclerc, T. Faravelli “An experimental and kinetic modelling study of n-C4C6 aldehydes oxidation in a jet-stirred reactorProceedings of the Combustion Institute, 2018
  • W Pejpichestakul, E Ranzi, M Pelucchi, A Frassoldati, A Cuoci, A Parente, T. Faravelli. “Examination of a soot model in premixed laminar flames at fuel-rich conditionsProceedings of the Combustion Institute, 2018
  • C Cavallotti, M Pelucchi, A Frassoldati “Analysis of acetic acid gas phase reactivity: Rate constant estimation and kinetic simulationsProceedings of the Combustion Institute, 2018
  • M Keçeli, SN Elliott, YP Li, MS Johnson, C Cavallotti, Y Georgievskii, W. H. Green, M. Pelucchi, J. M Wozniak, A. W. Jasper, S. J Klippenstein “Automated computational thermochemistry for butane oxidation: a prelude to predictive automated combustion kineticsProceedings of the Combustion Institute, 2018
  • G Scalia, M Pelucchi, A Stagni, T Faravelli, B Pernici Storing combustion data experiments: new requirements emerging from a first prototype Semantics, Analytics, Visualization, 138-149
  • M Lubrano Lavadera, Y Song, P Sabia, O Herbinet, M Pelucchi, A Stagni, T. Faravelli, F. Battin-Leclerc, M. de Joannon, “Oscillatory behavior in methane combustion: on the influence of the operating parametersEnergy & Fuels, 2018
  • M Pelucchi, C Cavallotti, T Faravelli, SJ Klippenstein "H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their implications for kinetic modelling of toluene oxidationPhysycal Chemistry Chemical Physics, 2018.
  • M. Singla, M. L. Rasmussen, H. Hashemi, H. Wu, P. Glarborg, M. Pelucchi, T. Faravelli and P. Marshall "Ab Initio Calculations and Kinetic Modeling of Thermal Conversion of Methyl Chloride: Implications for Gasification of Biomass". Physycal Chemistry Chemical Physics, 2018. 

2017

  • A Carrera, M Pelucchi, A Stagni, A Beretta, G Groppi. "Catalytic partial oxidation of n-octane and iso-octane: experimental and modeling resultsInternational Journal of Hydrogen Energy 42 (39), 24675-24688, 2017.
  • M. Pelucchi, M. Bissoli, C. Rizzo, Y. Zhang, K.P. Somers, A. Frassoldati, H.J. Curran, T. Faravelli “A kinetic modelling study of alcohols operating regimes in a HCCI engine” SAE International Journal of Engines 10.2017-24-0077 (2017).
  • M. Pelucchi, E. Ranzi, A. Frassoldati, T. Faravelli "Alkyl radicals rule the low temperature oxidation of long chain aldehydes". Proceedings of the Combustion Institute, 36 (1), 393-401. DOI: 10.1016/j.proci.2016.05.051

2016

  • M. Pelucchi, C. Cavallotti, E. Ranzi, A. Frassoldati, T. Faravelli "Relative reactivity of oxygenated fuels: alcohols, aldehydes, ketons and methyl esters.” Energy & Fuels, (10), 8665-8679, 2016. http://pubs.acs.org/doi/abs/10.1021/acs.energyfuels.6b01171. DOI: 10.1021/acs.energyfuels.6b01171
  • P.E.A. Debiagi, G. Gentile, M. Pelucchi, A. Frassoldati, A. Cuoci, T. Faravelli, E. Ranzi, "Detailed kinetic mechanism of gas-phase reactions of volatiles released from biomass pyrolysis", Biomass and Bioenergy, 93, 2016, Pages 60-71. DOI: 10.1016/j.biombioe.2016.06.015
  • M.S. Bernardi, M. Pelucchi, A. Stagni, A. Cuoci, L.M. Sangalli, A. Frassoldati, P. Secchi, T. Faravelli "Curve Matching, a generalized framework for models/experiments comparison: an application to n-heptane combustion kinetic mechanisms". Combustion and Flame, Volume 168, June 2016, Pages 186-203.
  • D. Nativel, M. Pelucchi, A. Frassoldati, A. Comandini, A. Cuoci, E. Ranzi, N. Chaumeix, T. Faravelli, "Laminar flame speeds of pentanol isomers: An experimental and modeling studyCombustion and Flame, 166, 2016, 1-18

2015

  • Pelucchi, M., Frassoldati, A., Faravelli, T., Ruscic, B., Glarborg, P., "High-temperature chemistry of HCl and Cl2", Combustion and Flame, 162 (6), pp. 2693-2704 (2015), DOI: 10.1016/j.combustflame.2015.04.002
  • Ranzi E., Cavallotti C., Cuoci A., Frassoldati A., Pelucchi M., Faravelli T., "New reaction classes in the kinetic modeling of the low temperature oxidation of n-alkanes", Combustion and Flame, 162 (5), pp. 1679-1691 (2015), DOI:10.1016/j.combustflame.2014.11.030
  • Pelucchi M., Bissoli M., Cavallotti C., Cuoci A., Faravelli T., Frassoldati A., Ranzi E., Stagni A., "An improved kinetic model of the low temperature oxidation of n-heptane". Energy Fuels, 28 (11), pp. 7178-7193 (2014), DOI: 10.1021/ef501483f
  • Pelucchi M., Somers K. P., Burke U., Yasunaga K., Frassoldati A., Ranzi E., Curran H. J., Faravelli T., "An experimental and kinetic modelling study of nC3-C5 aldehydes pyrolysis and oxidation in shock tubes". Combustion and Flame, 162 (2), 265-286 (2015), DOI:10.1016/j.combustflame.2014.07.027

2014

  • Ranzi E., Frassoldati A., Stagni A., Pelucchi M., Cuoci A., Faravelli T., "Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation fuels", International Journal of Chemical Kinetics, 46 (9), pp. 512-542, (2014), DOI: 10.1002/kin.20867