Publications on international journals
2021
Dogu, O., Pelucchi, M., Van de Vijver, R., Van Steenberge, P.H.M., D’hooge, D.R., Cuoci, A., Mehl, M., Frassoldati, A., Faravelli, T., Van Geem, K.M.
The chemistry of chemical recycling of solid plastic waste via pyrolysis and gasification: State-of-the-art, challenges, and future directions
(2021) Progress in Energy and Combustion Science, 84, art. no. 100901
DOI: 10.1016/j.pecs.2020.100901
Fürst, M., Bertolino, A., Cuoci, A., Faravelli, T., Frassoldati, A., Parente, A.
OptiSMOKE++: A toolbox for optimization of chemical kinetic mechanisms
(2021) Computer Physics Communications, 264, art. no. 107940
DOI: 10.1016/j.cpc.2021.107940
Cuoci, A., Avedisian, C.T., Brunson, J.D., Guo, S., Dalili, A., Wang, Y., Mehl, M., Frassoldati, A., Seshadri, K., Dec, J.E., Lopez-Pintor, D.
Simulating combustion of a seven-component surrogate for a gasoline/ethanol blend including soot formation and comparison with experiments
(2021) Fuel, 288, art. no. 119451
DOI: 10.1016/j.fuel.2020.119451
Saufi, A.E., Frassoldati, A., Faravelli, T., Cuoci, A.
Interface-resolved simulation of the evaporation and combustion of a fuel droplet suspended in normal gravity
(2021) Fuel, 287, art. no. 119413
DOI: 10.1016/j.fuel.2020.119413
D’Alessio, G., Attili, A., Cuoci, A., Pitsch, H., Parente, A.
Unsupervised Data Analysis of Direct Numerical Simulation of a Turbulent Flame via Local Principal Component Analysis and Procustes Analysis
(2021) Advances in Intelligent Systems and Computing, 1268 AISC, pp. 460-469
2020
Özer, B., Debiagi, P.E.A., Hasse, C., Faravelli, T., Kazanç, F.
An experimental and numerical study on the combustion of lignites from different geographic origins
(2020) Fuel, 278, art. no. 118320, .
DOI: 10.1016/j.fuel.2020.118320
D’Alessio, G., Cuoci, A., Aversano, G., Bracconi, M., Stagni, A., Parente, A.
Impact of the partitioning method on multidimensional adaptive-chemistry simulations
(2020) Energies, 13 (10), art. no. 2567, .
DOI: 10.3390/en13102567
Stagni, A., Cavallotti, C., Arunthanayothin, S., Song, Y., Herbinet, O., Battin-Leclerc, F., Faravelli, T.
An experimental, theoretical and kinetic-modeling study of the gas-phase oxidation of ammonia
(2020) Reaction Chemistry and Engineering, 5 (4), pp. 696-711.
DOI: 10.1039/c9re00429g
Stagni, A., Song, Y., Vandewalle, L.A., Van Geem, K.M., Marin, G.B., Herbinet, O., Battin-Leclerc, F., Faravelli, T.
The role of chemistry in the oscillating combustion of hydrocarbons: An experimental and theoretical study
(2020) Chemical Engineering Journal, 385, art. no. 123401, .
DOI: 10.1016/j.cej.2019.123401
Shamooni, A., Cuoci, A., Faravelli, T., Sadiki, A.
An a priori DNS analysis of scale similarity based combustion models for LES of non-premixed jet flames
(2020) Flow, Turbulence and Combustion, 104 (2-3), pp. 605-624.
DOI: 10.1007/s10494-019-00099-9
Bodor, A.L., Cuoci, A., Faravelli, T., Franzelli, B.
A forward approach for the validation of soot sizing models using laser-induced incandescence (LII)
(2020) Applied Physics B: Lasers and Optics, 126 (3), art. no. 49, .
DOI: 10.1007/s00340-020-7383-9
Pratali Maffei, L., Pelucchi, M., Faravelli, T., Cavallotti, C.
Theoretical study of sensitive reactions in phenol decomposition
(2020) Reaction Chemistry and Engineering, 5 (3), pp. 452-472.
DOI: 10.1039/c9re00418a
Bagheri, G., Ranzi, E., Pelucchi, M., Parente, A., Frassoldati, A., Faravelli, T.
Comprehensive kinetic study of combustion technologies for low environmental impact: MILD and OXY-fuel combustion of methane
(2020) Combustion and Flame, 212, pp. 142-155.
DOI: 10.1016/j.combustflame.2019.10.014
D’Alessio, G., Parente, A., Stagni, A., Cuoci, A.
Adaptive chemistry via pre-partitioning of composition space and mechanism reduction
(2020) Combustion and Flame, 211, pp. 68-82.
DOI: 10.1016/j.combustflame.2019.09.010
Shamooni, A., Cuoci, A., Faravelli, T., Sadiki, A.
New Dynamic Scale Similarity Based Finite-Rate Combustion Models for LES and a priori DNS Assessment in Non-premixed Jet Flames with High Level of Local Extinction
(2020) Flow, Turbulence and Combustion, 104 (1), pp. 233-260.
DOI: 10.1007/s10494-019-00060-w
Maio, G., Cailler, M., Cuoci, A., Fiorina, B.
A virtual chemical mechanism for prediction of NO emissions from flames
(2020) Combustion Theory and Modelling, .
DOI: 10.1080/13647830.2020.1772509
Namysl, S., Pelucchi, M., Pratali Maffei, L., Herbinet, O., Stagni, A., Faravelli, T., Battin-Leclerc, F.
Experimental and modeling study of benzaldehyde oxidation
(2020) Combustion and Flame, 211, pp. 124-132.
DOI: 10.1016/j.combustflame.2019.09.024
2019
Ding, Z.-B., Di Marco, E., Pelucchi, M., Faravelli, T., Maestri, M.
First-principles assessment of the analogy between gas-phase and gas-solid H-abstraction reactions at graphene edges
(2019) Chemical Engineering Journal, 377, art. no. 119691, .
DOI: 10.1016/j.cej.2018.08.077
Saufi, A.E., Calabria, R., Chiariello, F., Frassoldati, A., Cuoci, A., Faravelli, T., Massoli, P.
An experimental and CFD modeling study of suspended droplets evaporation in buoyancy driven convection
(2019) Chemical Engineering Journal, 375, art. no. 122006, .
DOI: 10.1016/j.cej.2019.122006
Bodor, A.L., Franzelli, B., Faravelli, T., Cuoci, A.
A post processing technique to predict primary particle size of sooting flames based on a chemical discrete sectional model: Application to diluted coflow flames
(2019) Combustion and Flame, 208, pp. 122-138.
DOI: 10.1016/j.combustflame.2019.06.008
Pelucchi, M., Cai, L., Pejpichestakul, W., Tripathi, R., Wagnon, S., Zhang, K., Raju, M., Mehl, M., Faravelli, T., Pitz, W., Pitsch, H., Curran, H., Senecal, P.K.
Computational Chemistry Consortium: Surrogate Fuel Mechanism Development, Pollutants Sub-Mechanisms and Components Library
(2019) SAE Technical Papers, 2019-September (September), .
DOI: 10.4271/2019-24-0020
Pejpichestakul, W., Frassoldati, A., Parente, A., Faravelli, T.
Soot Modeling of Ethylene Counterflow Diffusion Flames
(2019) Combustion Science and Technology, 191 (9), pp. 1473-1483.
DOI: 10.1080/00102202.2018.1540472
Bertolino, A., Stagni, A., Cuoci, A., Faravelli, T., Parente, A., Frassoldati, A.
Prediction of flammable range for pure fuels and mixtures using detailed kinetics
(2019) Combustion and Flame, 207, pp. 120-133.
DOI: 10.1016/j.combustflame.2019.05.036
Cuoci, A.
Numerical modeling of reacting systems with detailed kinetic mechanisms
(2019) Computer Aided Chemical Engineering, 45, pp. 675-721.
DOI: 10.1016/B978-0-444-64087-1.00013-9
Pelucchi, M., Stagni, A., Faravelli, T.
Addressing the complexity of combustion kinetics: Data management and automatic model validation
(2019) Computer Aided Chemical Engineering, 45, pp. 763-798.
DOI: 10.1016/B978-0-444-64087-1.00015-2
Calabria, R., Chiariello, F., Massoli, P., Frassoldati, A., van de Beld, B., Hermanns, T.E., Oasmaa, A., Toussaint, A.
The effect of adding ethanol on the ignition properties of fast pyrolysis bio oils
(2019) European Biomass Conference and Exhibition Proceedings, pp. 765-770.
Ciottoli, P.P., Galassi, R.M., Angelilli, L., Cuoci, A., Im, H.G., Valorani, M.
Analysis of Wall–flame Interaction in Laminar Non-premixed Combustion
(2019) Combustion Science and Technology, .
DOI: 10.1080/00102202.2019.1678963
Debiagi, P.E.A., Heuer, S., Ontyd, C., Schiemann, M., Faravelli, T., Hasse, C., Scherer, V.
Differences in formation and oxidation of Colombian coal chars in air and oxy-fuel atmospheres
(2019) Chemical Engineering Transactions, 74, pp. 151-156.
DOI: 10.3303/CET1974026
Pejpichestakul W., Cuoci, A., Frassoldati, A., Pelucchi, M., Parente, A., Faravelli, T.
Buoyancy effect in sooting laminar premixed ethylene flame
(2019) Combustion and Flame, 205, pp. 135-146
DOI: 10.1016/j.combustflame.2019.04.001
Pelucchi, M., Cavallotti, C., Cuoci, A., Faravelli, T., Frassoldati, A., Ranzi, E.
Detailed kinetics of substituted phenolic species in pyrolysis bio-oils
(2019) Reaction Chemistry & Engineering, 4, pp. 490-506
DOI: 10.1039/C8RE00198G
Pejpichestakul, W., Ranzi, E., Pelucchi, M., Frassoldati, A., Cuoci, A., Parente, A., Faravelli, T.
Examination of a soot model in premixed laminar flames at fuel-rich conditions
(2019) Proceedings of the Combustion Institute, 37 (1), pp. 1013-1021
DOI: 10.1016/j.proci.2018.06.104
Li, Z., Cuoci, A., Parente, A.
Large Eddy Simulation of MILD combustion using finite rate chemistry: Effect of combustion sub-grid closure
(2019) Proceedings of the Combustion Institute, 37 (4), pp. 4519-4529
DOI: 10.1016/j.proci.2018.09.033
Pelucchi, M., Namysl, S., Ranzi, E., Frassoldati, A., Herbinet, O., Battin-Leclerc, F., Faravelli, T.
An experimental and kinetic modelling study of n-C4C6 aldehydes oxidation in a jet-stirred reactor
(2019) Proceedings of the Combustion Institute, 37 (1), pp. 389-397
DOI: 10.1016/j.proci.2018.07.087
Mairinger, G., Frassoldati, A., Cuoci, A., Pelucchi, M., Pucher, E., Seshadri, K.
Experimental and computational investigation of autoignition of jet fuels and surrogates in nonpremixed flows at elevated pressures
(2019) Proceedings of the Combustion Institute, 37 (2), pp. 1605-1614
DOI: 10.1016/j.proci.2018.06.224
Cavallotti, C., Pelucchi, M., Frassoldati, A.
Analysis of acetic acid gas phase reactivity: Rate constant estimation and kinetic simulations
(2019) Proceedings of the Combustion Institute, 37(1), pp. 539-546
DOI: 10.1016/j.proci.2018.06.137
Song, Y., Marrodán, L., Vin, N., Herbinet, O., Assaf, E., Fittschen, C., Stagni, A., Faravelli, T., Alzueta, M.U., Battin-Leclerc, F.
The sensitizing effects of NO2 and NO on methane low temperature oxidation in a jet stirred reactor
(2019) Proceedings of the Combustion Institute, 37 (1), pp. 667-675
DOI: 10.1016/j.proci.2018.06.115
Tufano, G.L., Stein, O.T., Kronenburg, A., Gentile, G., Stagni, A., Frassoldati, A., Faravelli, T., Kempf, A.M., Vascellari, M., Hasse, C.
Fully-resolved simulations of coal particle combustion using a detailed multi-step approach for heterogeneous kinetics
(2019) Fuel, pp. 75-83.
DOI: 10.1016/j.fuel.2018.11.139
Saufi, A.E., Frassoldati, A., Faravelli, T., Cuoci, A.
DropletSMOKE++: A comprehensive multiphase CFD framework for the evaporation of multidimensional fuel droplets
(2019) International Journal of Heat and Mass Transfer, pp. 836-853.
DOI: 10.1016/j.ijheatmasstransfer.2018.11.054
Pelucchi, M., Cavallotti, C., Cuoci, A., Faravelli, T., Frassoldati, A., Ranzi, E.
Detailed kinetics of substituted phenolic species in pyrolysis bio-oils
(2019) Reaction Chemistry and Engineering, 4 (3), pp. 490-506.
DOI: 10.1039/c8re00198g
Bagheri, G., Lavadera, M.L., Ranzi, E., Pelucchi, M., Sabia, P., de Joannon, M., Parente, A., Faravelli, T.
Thermochemical oscillation of methane MILD combustion diluted with N2/CO2/H2O
(2019) Combustion Science and Technology, 191 (1), pp. 68-80.
2018
Pejpichestakul, W., Frassoldati, A., Parente, A., Faravelli, T.
Kinetic modeling of soot formation in premixed burner-stabilized stagnation ethylene flames at heavily sooting condition
(2018) Fuel, 234, pp. 199-206.
DOI: 10.1016/j.fuel.2018.07.022
Debiagi, P., Gentile, G., Cuoci, A., Frassoldati, A., Ranzi, E., Faravelli, T.
A predictive model of biochar formation and characterization
(2018) Journal of Analytical and Applied Pyrolysis, 134, pp. 326-335.
DOI: 10.1016/j.jaap.2018.06.022
Shamooni, A., Cuoci, A., Faravelli, T., Sadiki, A.
Prediction of combustion and heat release rates in non-premixed syngas jet flames using finite-rate scale similarity based combustion models
(2018) Energies, 11 (9), art. no. 2464
DOI: 10.3390/en11092464
Li, Z., Ferrarotti, M., Cuoci, A., Parente, A.
Finite-rate chemistry modelling of non-conventional combustion regimes using a Partially-Stirred Reactor closure: Combustion model formulation and implementation details
(2018) Applied Energy, 225, pp. 637-655.
DOI: 10.1016/j.apenergy.2018.04.085
Pelucchi, M., Cavallotti, C., Faravelli, T., Klippenstein, S.J.
H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their implications for kinetic modelling of toluene oxidation
(2018) Physical Chemistry Chemical Physics, 20 (16), pp. 10607-10627.
DOI: 10.1039/c7cp07779c
Ding, Z.-B., Di Marco, E., Pelucchi, M., Faravelli, T., Maestri, M.
First-principles assessment of the analogy between gas-phase and gas-solid H-abstraction reactions at graphene edges
(2018) Chemical Engineering Journal, . Article in Press.
DOI: 10.1016/j.cej.2018.08.077
Singla, M., Rasmussen, M.L., Hashemi, H., Wu, H., Glarborg, P., Pelucchi, M., Faravelli, T., Marshall, P.
Ab initio calculations and kinetic modeling of thermal conversion of methyl chloride: Implications for gasification of biomass
(2018) Physical Chemistry Chemical Physics, 20 (16), pp. 10741-10752.
DOI: 10.1039/c7cp07552a
Stagni, A., Cuoci, A., Frassoldati, A., Ranzi, E., Faravelli, T.
Numerical investigation of soot formation from microgravity droplet combustion using heterogeneous chemistry
(2018) Combustion and Flame, 189, pp. 393-406.
DOI: 10.1016/j.combustflame.2017.10.029
Stagni, A., Brignoli, D., Cinquanta, M., Cuoci, A., Frassoldati, A., Ranzi, E., Faravelli, T.
The influence of low-temperature chemistry on partially-premixed counterflow n-heptane/air flames
(2018) Combustion and Flame, 188, pp. 440-452.
DOI: 10.1016/j.combustflame.2017.10.002
Bissoli, M., Frassoldati, A., Cuoci, A., Ranzi, E., Faravelli, T.
A model investigation of fuel and operating regime impact on homogeneous charge compression ignition engine performance
(2018) Energy & Fuels, In press
DOI: 10.1021/acs.energyfuels.7b00893
Lubrano Lavadera, M., Song, Y., Sabia, P., Herbinet, O., Pelucchi, M., Stagni, A., Faravelli, T., Battin-Leclerc, F., De Joannon, M.
Oscillatory Behavior in Methane Combustion: Influence of the Operating Parameters
(2018) Energy and Fuels, 32 (10), pp. 10088-10099.
DOI: 10.1021/acs.energyfuels.8b00967
Fürst, M., Sabia, P., Lubrano Lavadera, M., Aversano, G., De Joannon, M., Frassoldati, A., Parente, A.
Optimization of Chemical Kinetics for Methane and Biomass Pyrolysis Products in Moderate or Intense Low-Oxygen Dilution Combustion
(2018) Energy and Fuels, 32 (10), pp. 10194-10201.
2017
Li, Z., Cuoci, A., Sadiki, A., Parente, A.
Comprehensive numerical study of the Adelaide Jet in Hot-Coflow burner by means of RANS and detailed chemistry
(2017) Energy, 139, pp. 555-570.
DOI: 10.1016/j.energy.2017.07.132
Debiagi, P.E.A., Trinchera, M., Frassoldati, A., Faravelli, T., Vinu, R., Ranzi, E.
Algae characterization and multistep pyrolysis mechanism
(2017) Journal of Analytical and Applied Pyrolysis, 128, pp. 423-436.
DOI: 10.1016/j.jaap.2017.08.007
Pelucchi, M., Bissoli, M., Rizzo, C., Zhang, Y., Somers, K., Frassoldati, A., Curran, H., Faravelli, T.
A Kinetic Modelling Study of Alcohols Operating Regimes in a HCCI Engine
(2017) SAE International Journal of Engines, 10 (5), .
DOI: 10.4271/2017-24-0077
Ranzi, E., Debiagi, P.E.A., Frassoldati, A.
Mathematical Modeling of Fast Biomass Pyrolysis and Bio-Oil Formation. Note II: Secondary Gas-Phase Reactions and Bio-Oil Formation
(2017) ACS Sustainable Chemistry and Engineering, 5 (4), pp. 2882-2896.
DOI: 10.1021/acssuschemeng.6b03098
Ranzi, E., Debiagi, P.E.A., Frassoldati, A.
Mathematical Modeling of Fast Biomass Pyrolysis and Bio-Oil Formation. Note I: Kinetic Mechanism of Biomass Pyrolysis
(2017) ACS Sustainable Chemistry and Engineering, 5 (4), pp. 2867-2881.
DOI: 10.1021/acssuschemeng.6b03096
Rebughini, S., Cuoci, A., Dixon, A.G., Maestri, M.
Cell agglomeration algorithm for coupling microkinetic modeling and steady-state CFD simulations of catalytic reactors
(2017) Computers and Chemical Engineering, 97, pp. 175-182.
DOI: 10.1016/j.compchemeng.2016.11.033
Bracconi, M., Maestri, M., Cuoci, A.
In situ adaptive tabulation for the CFD simulation of heterogeneous reactors based on operator-splitting algorithm
(2017) AIChE Journal, 63 (1), pp. 95-104.
DOI: 10.1002/aic.15441
Rebughini, S., Bracconi, M., Cuoci, A., Maestri, M.
Catalysis engineering: From the catalytic material to the catalytic reactor
(2017) Springer Series in Chemical Physics, 114, pp. 189-218.
DOI: 10.1007/978-3-319-44439-0_8
Carrera, A., Pelucchi, M., Stagni, A., Beretta, A., Groppi, G.
Catalytic partial oxidation of n-octane and iso-octane: Experimental and modeling results
(2017) International Journal of Hydrogen Energy, 42 (39), pp. 24675-24688.
DOI: 10.1016/j.ijhydene.2017.08.020
Franzelli, B., Cuoci, A., Stagni, A., Ihme, M., Faravelli, T., Candel, S.
Numerical investigation of soot-flame-vortex interaction
(2017) Proceedings of the Combustion Institute, 36 (1), pp. 753-761.
DOI: 10.1016/j.proci.2016.07.128
Stagni, A., Esclapez, L., Govindaraju, P., Cuoci, A., Faravelli, T., Ihme, M.
The role of preferential evaporation on the ignition of multicomponent fuels in a homogeneous spray/air mixture
(2017) Proceedings of the Combustion Institute, 36 (2), pp. 2483-2491.
DOI: 10.1016/j.proci.2016.06.052
Evans, M.J., Medwell, P.R., Tian, Z.F., Ye, J., Frassoldati, A., Cuoci, A.
Effects of oxidant stream composition on non-premixed laminar flames with heated and diluted coflows
(2017) Combustion and Flame, 178, pp. 297-310.
DOI: 10.1016/j.combustflame.2016.12.023
Frassoldati, A., Cuoci, A., Stagni, A., Faravelli, T., Ranzi, E.
Skeletal kinetic mechanism for diesel combustion
(2017) Combustion Theory and Modelling, 21 (1), pp. 79-92.
DOI: 10.1080/13647830.2016.1222082
Pelucchi, M., Ranzi, E., Frassoldati, A., Faravelli, T.
Alkyl radicals rule the low temperature oxidation of long chain aldehydes
(2017) Proceedings of the Combustion Institute, 36 (1), pp. 393-401.
DOI: 10.1016/j.proci.2016.05.051
Cuoci, A., Saufi, A.E., Frassoldati, A., Dietrich, D.L., Williams, F.A., Faravelli, T.
Flame extinction and low-temperature combustion of isolated fuel droplets of n-alkanes
(2017) Proceedings of the Combustion Institute, 36 (2), pp. 2531-2539.
DOI: 10.1016/j.proci.2016.08.019
Gentile, G., Debiagi, P.E.A., Cuoci, A., Frassoldati, A., Ranzi, E., Faravelli, T.
A computational framework for the pyrolysis of anisotropic biomass particles
(2017) Chemical Engineering Journal, 321, pp. 458-473.
2016
Bernardi, M.S., Pelucchi, M., Stagni, A., Sangalli, L.M., Cuoci, A., Frassoldati, A., Secchi, P., Faravelli, T.
Curve matching, a generalized framework for models/experiments comparison: An application to n-heptane combustion kinetic mechanisms
(2016) Combustion and Flame, 168, pp. 186-203
DOI: 10.1016/j.combustflame.2016.03.019
A. Stagni, L. Esclapez, P. Govindaraju, A. Cuoci, T. Faravelli, M. Ihme
The role of preferential evaporation on the ignition of multicomponent fuels in a homogeneous spray/air mixture
Proceedings of the Combustion Institute, Article in Press
DOI: 10.1016/j.proci.2016.06.052
Fantozzi, F., Frassoldati, A., Bartocci, P., Cinti, G., Quagliarini, F., Bidini, G., Ranzi, E.M.
An experimental and kinetic modeling study of glycerol pyrolysis
(2016) Applied Energy, 184, pp. 68-76.
DOI: 10.1016/j.apenergy.2016.10.018
Tufano, G.L., Stein, O.T., Kronenburg, A., Frassoldati, A., Faravelli, T., Deng, L., Kempf, A.M., Vascellari, M., Hasse, C.
Resolved flow simulation of pulverized coal particle devolatilization and ignition in air- and O2/CO2-atmospheres
(2016) Fuel, 186, pp. 285-292.
DOI: 10.1016/j.fuel.2016.08.073
Mairinger, G., Frassoldati, A., Gehmlich, R., Niemann, U., Stagni, A., Ranzi, E., Seshadri, K.
Autoignition of condensed hydrocarbon fuels in non-premixed flows at elevated pressures
(2016) Combustion Theory and Modelling, 20 (6), pp. 995-1009.
DOI: 10.1080/13647830.2016.1232437
Pelucchi, M., Cavallotti, C., Ranzi, E., Frassoldati, A., Faravelli, T.
Relative Reactivity of Oxygenated Fuels: Alcohols, Aldehydes, Ketones, and Methyl Esters
(2016) Energy and Fuels, 30 (10), pp. 8665-8679.
DOI: 10.1021/acs.energyfuels.6b01171
Debiagi, P.E.A., Gentile, G., Pelucchi, M., Frassoldati, A., Cuoci, A., Faravelli, T., Ranzi, E.
Detailed kinetic mechanism of gas-phase reactions of volatiles released from biomass pyrolysis
(2016) Biomass and Bioenergy, 93, pp. 60-71
DOI: 10.1016/j.biombioe.2016.06.015
Bissoli, M., Frassoldati, A., Cuoci, A., Ranzi, E., Mehl, M., Faravelli, T.
A new predictive multi-zone model for HCCI engine combustion
(2016) Applied Energy, 178, pp. 826-843
DOI: 10.1016/j.apenergy.2016.06.062
Frassoldati, A., Cuoci, A., Stagni, A., Faravelli, T., Ranzi, E.
Skeletal kinetic mechanism for diesel combustion
(2016) Combustion Theory and Modelling, Article in Press
DOI: 10.1080/13647830.2016.1222082
Evans, M., Medwell, P., Tian, Z., Frassoldati, A., Cuoci, A., Stagni, A.
Ignition Characteristics in Spatially Zero-, One- and Two-Dimensional Laminar Ethylene Flames
(2016) AIAA Journal, 54 (10), pp. 3255-3264
DOI: 10.2514/1.J054958
Saggese, C., Cuoci, A., Frassoldati, A., Ferrario, S., Camacho, J., Wang, H., Faravelli, T.
Probe effects in soot sampling from a burner-stabilized stagnation flame
(2016) Combustion and Flame, 167, pp. 184-197
DOI: 10.1016/j.combustflame.2016.02.013
Nativel, D., Pelucchi, M., Frassoldati, A., Comandini, A., Cuoci, A., Ranzi, E., Chaumeix, N., Faravelli, T.
Laminar flame speeds of pentanol isomers: An experimental and modeling study
(2016) Combustion and Flame, 166, pp. 1-18
DOI: 10.1016/j.combustflame.2015.11.012
Rodriguez, A., Herbinet, O., Battin-Leclerc, F., Frassoldati, A., Faravelli, T., Ranzi, E.
Experimental and modeling investigation of the effect of the unsaturation degree on the gas-phase oxidation of fatty acid methyl esters found in biodiesel fuels
(2016) Combustion and Flame, 164, pp. 346-362.
DOI: 10.1016/j.combustflame.2015.11.032
Rebughini, S., Cuoci, A., Maestri, M.
Hierarchical analysis of the gas-to-particle heat and mass transfer in micro packed bed reactors
(2016) Chemical Engineering Journal, 289, p. 471-478
DOI: 10.1016/j.cej.2015.12.089
P.E. Debiagi, C. Pecchi, G. Gentile, A. Frassoldati, A. Cuoci, T. Faravelli, E. Ranzi
Extractives extend the applicability of multistep kinetic scheme of biomass pyrolysis
(2016) Energy & Fuels, 29(10), pp. 6544-6555
DOI: 10.1021/acs.energyfuels.5b01753
Parente, A., Malik, R.M., Contino, F., Cuoci, A., Dally, B.
Extension of the Eddy Dissipation Concept for turbulence/chemistry interactions to MILD combustion
(2016) Fuel, 163, pp. 98-111
DOI: 10.1016/j.fuel.2015.09.020
Rebughini, S., Cuoci, A., Maestri, M.
Handling contact points in reactive CFD simulations of heterogeneous catalytic fixed bed reactors
(2016) Chemical Engineering Science, 141, pp. 240-249
DOI: 10.1016/j.ces.2015.11.013
Maffei, T., Gentile, G., Rebughini, S., Bracconi, M., Manelli, F., Lipp, S., Cuoci, A., Maestri, M.
A multiregion operator-splitting CFD approach for coupling microkinetic modeling with internal porous transport in heterogeneous catalytic reactors
(2016) Chemical Engineering Journal, 283, pp. 1392-1404
2015
Pelucchi, M., Frassoldati, A., Faravelli, T., Ruscic, B., Glarborg, P.
High-temperature chemistry of HCl and Cl2
(2015) Combustion and Flame, 162 (6), pp. 2693-2704
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 low temperature oxidation of n-alkanes
(2015) Combustion and Flame, 162 (5), pp. 1679-1691
DOI: 10.1016/j.combustflame.2014.11.030
Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E.
OpenSMOKE++: An object-oriented framework for the numerical modeling of reactive systems with detailed kinetic mechanisms
(2015) Computer Physics Communications, 192, pp. 237-264
DOI: 10.1016/j.cpc.2015.02.014
Saggese, C., Ferrario, S., Camacho, J., Cuoci, A., Frassoldati, A., Ranzi, E., Wang, H., Faravelli, T.
Kinetic modeling of particle size distribution of soot in a premixed burner-stabilized stagnation ethylene flame
(2015) Combustion and Flame, Article in Press
DOI: 10.1016/j.combustflame.2015.06.002
Jin, H., Frassoldati, A., Wang, Y., Zhang, X., Zeng, M., Li, Y., Qi, F., Cuoci, A., Faravelli, T.
Kinetic modeling study of benzene and PAH formation in laminar methane flames
(2015) Combustion and Flame, 162 (5), pp. 1692-1711
DOI: 10.1016/j.combustflame.2014.11.031
Pelucchi, M., Somers, K.P., Yasunaga, K., Burke, U., Frassoldati, A., Ranzi, E., Curran, H.J., Faravelli, T.
An experimental and kinetic modeling study of the pyrolysis and oxidation of n-C3C5 aldehydes in shock tubes
(2015) Combustion and Flame, 162 (2), pp. 265-286
DOI: 10.1016/j.combustflame.2014.07.027
Jin, H., Yuan, W., Wang, Y., Li, Y., Qi, F., Cuoci, A., Frassoldati, A., Faravelli, T.
Experimental and kinetic modeling study of laminar coflow diffusion methane flames doped with 2-butanol
(2015) Proceedings of the Combustion Institute, 35 (1), pp. 863-871
DOI: 10.1016/j.proci.2014.05.128
Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E.
Numerical modeling of auto-ignition of isolated fuel droplets in microgravity
(2015) Proceedings of the Combustion Institute, 35 (2), pp. 1621-1627
2014
Matera, S., Maestri, M., Cuoci, A., Reuter, K.
Predictive-quality surface reaction chemistry in real reactor models: Integrating first-principles kinetic monte carlo simulations into computational fluid dynamics
(2014) ACS Catalysis, 4 (11), pp. 4081-4092
DOI: 10.1021/cs501154e
Pelucchi, M., Somers, K.P., Yasunaga, K., Burke, U., Frassoldati, A., Ranzi, E., Curran, H.J., Faravelli, T.
An experimental and kinetic modeling study of the pyrolysis and oxidation of n-C3 {single bond}C5 aldehydes in shock tubes
(2014) Combustion and Flame, Article in Press
DOI: 10.1016/j.combustflame.2014.07.027
Corbetta, M., Frassoldati, A., Bennadji, H., Smith, K., Serapiglia, M.J., Gauthier, G., Melkior, T., Ranzi, E., Fisher, E.M.
Pyrolysis of centimeter-scale woody biomass particles: Kinetic modeling and experimental validation
(2014) Energy and Fuels, 28 (6), pp. 3884-3898
DOI: 10.1021/ef500525v
Stagni, A., Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E.
Lumping and reduction of detailed kinetic schemes: An effective coupling
(2014) Industrial and Engineering Chemistry Research, 53 (22), pp. 9004-9016
DOI: 10.1021/ie403272f
Jin, H., Cuoci, A., Frassoldati, A., Faravelli, T., Wang, Y., Li, Y., Qi, F.
Experimental and kinetic modeling study of PAH formation in methane coflow diffusion flames doped with n-butanol
(2014) Combustion and Flame, 161 (3), pp. 657-670
DOI: 10.1016/j.combustflame.2013.10.020
Monaghan, R.F.D., Tahir, R., Bourque, G., Gordon, R.L., Cuoci, A., Faravelli, T., Frassoldati, A., Curran, H.J.
Detailed emissions prediction for a turbulent swirling nonpremixed flame
(2014) Energy and Fuels, 28 (2), pp. 1470-1488
DOI: 10.1021/ef402057w
Saggese, C., Sánchez, N.E., Frassoldati, A., Cuoci, A., Faravelli, T., Alzueta, M.U., Ranzi, E.
Kinetic modeling study of polycyclic aromatic hydrocarbons and soot formation in acetylene pyrolysis
(2014) Energy and Fuels, 28 (2), pp. 1489-1501
DOI: 10.1021/ef402048q
Stagni, A., Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E.
A fully coupled, parallel approach for the post-processing of CFD data through reactor network analysis
(2014) Computers and Chemical Engineering, 60, pp. 197-212
DOI: 10.1016/j.compchemeng.2013.09.002
Pelucchi, M., Bissoli, M., Cavallotti, C., Cuoci, A., Faravelli, T., Frassoldati, A., Ranzi, E., Stagni, A.
Improved kinetic model of the low-temperature oxidation of n-heptane
(2014) Energy and Fuels, 28 (11), pp. 7178-7193
DOI: 10.1021/ef501483f
Maffei, T., Rebughini, S., Gentile, G., Lipp, S., Cuoci, A., Maestri, M.
CFD analysis of the channel shape effect in monolith catalysts for the CH4 partial oxidation on Rh
(2014) Chemie-Ingenieur-Technik, 86 (7), pp. 1099-1106
Stagni, A., Saggese, C., Bissoli, M., Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E.
Reduced kinetic model of biodiesel fuel combustion
(2014) Chemical Engineering Transactions, 37, pp. 877-882
DOI: 10.3303/CET1437147
Djokic, M.R., Van Geem, K.M., Cavallotti, C., Frassoldati, A., Ranzi, E., Marin, G.B.
An experimental and kinetic modeling study of cyclopentadiene pyrolysis: First growth of polycyclic aromatic hydrocarbons
(2014) Combustion and Flame, 161 (11), pp. 2739-2751
DOI: 10.1016/j.combustflame.2014.04.013
Pelucchi, M., Somers, K.P., Burke, U., Saggese, C., Frassoldati, A., Ranzi, E., Curran, H.J., Faravelli, T.
Kinetic modelling of biofuels: Pyrolysis and auto-ignition of aldehydes
(2014) Chemical Engineering Transactions, 37, pp. 871-876
DOI: 10.3303/CET1437146
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
(2014) International Journal of Chemical Kinetics, 46 (9), pp. 512-542
DOI: 10.1002/kin.20867
2013
Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E.
Numerical modeling of laminar flames with detailed kinetics based on the operator-splitting method
(2013) Energy and Fuels, 27 (12), pp. 7730-7753.
DOI: 10.1021/ef4016334
D’Errico, G., Lucchini, T., Stagni, A., Frassoldati, A., Faravelli, T., Ranzi, E.
Reduced kinetic mechanisms for diesel spray combustion simulations
(2013) SAE Technical Papers, 6
DOI: 10.4271/2013-24-0014
Manenti, F., Papasidero, D., Frassoldati, A., Bozzano, G., Pierucci, S., Ranzi, E.
Multi-scale modeling of Claus thermal furnace and waste heat boiler using detailed kinetics
(2013) Computers and Chemical Engineering, 59, pp. 219-225
DOI: 10.1016/j.compchemeng.2013.05.028
Bissoli, M., Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E., Lucchini, T., D’Errico, G., Contino, F.
Detailed Kinetic Analysis of HCCI Combustion Using a New Multi-Zone Model and CFD Simulations
(2013) SAE International Journal of Engines, 6 (3), pp. 1594-1609
DOI: 10.4271/2013-24-0021
Saggese, C., Frassoldati, A., Cuoci, A., Faravelli, T., Ranzi, E.
A wide range kinetic modeling study of pyrolysis and oxidation of benzene
(2013) Combustion and Flame, 160 (7), pp. 1168-1190
DOI: 10.1016/j.combustflame.2013.02.013
Maestri, M., Cuoci, A.
Coupling CFD with detailed microkinetic modeling in heterogeneous catalysis
(2013) Chemical Engineering Science, 96, pp. 106-117
DOI: 10.1016/j.ces.2013.03.048
Cuoci, A., Frassoldati, A., Faravelli, T., Jin, H., Wang, Y., Zhang, K., Glarborg, P., Qi, F.
Experimental and detailed kinetic modeling study of PAH formation in laminar co-flow methane diffusion flames
(2013) Proceedings of the Combustion Institute, 34 (1), pp. 1811-1818
DOI: 10.1016/j.proci.2012.05.085
Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E.
A computational tool for the detailed kinetic modeling of laminar flames: Application to C2H4/CH4 coflow flames
(2013) Combustion and Flame, 160 (5), pp. 870-886
DOI: 10.1016/j.combustflame.2013.01.011
Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E.
Extinction of laminar, premixed, counter-flow methane/air flames under unsteady conditions: Effect of H2 addition
(2013) Chemical Engineering Science, 93, pp. 266-276
DOI: 10.1016/j.ces.2013.02.009
Dagaut, P., Ristori, A., Frassoldati, A., Faravelli, T., Dayma, G., Ranzi, E.
Experimental study of tetralin oxidation and kinetic modeling of its pyrolysis and oxidation
(2013) Energy and Fuels, 27 (3), pp. 1576-1585
DOI: 10.1021/ef4001456
Cuoci, A., Frassoldati, A., Stagni, A., Faravelli, T., Ranzi, E., Buzzi-Ferraris, G.
Numerical modeling of NOx formation in turbulent flames using a kinetic post-processing technique
(2013) Energy and Fuels, 27 (2), pp. 1104-1122
DOI: 10.1021/ef3016987
Saggese, C., Frassoldati, A., Cuoci, A., Faravelli, T., Ranzi, E.
A lumped approach to the kinetic modeling of pyrolysis and combustion of biodiesel fuels
(2013) Proceedings of the Combustion Institute, 34 (1), pp. 427-434
DOI: 10.1016/j.proci.2012.05.020
Dagaut, P., Ristori, A., Frassoldati, A., Faravelli, T., Dayma, G., Ranzi, E.
Experimental and semi-detailed kinetic modeling study of decalin oxidation and pyrolysis over a wide range of conditions
(2013) Proceedings of the Combustion Institute, 34 (1), pp. 289-296
DOI: 10.1016/j.proci.2012.05.099
Shabanian, S.R., Medwell, P.R., Rahimi, M., Frassoldati, A., Cuoci, A.
Kinetic and fluid dynamic modeling of ethylene jet flames in diluted and heated oxidant stream combustion conditions
(2013) Applied Thermal Engineering, 52 (2), pp. 538-554
DOI: 10.1016/j.applthermaleng.2012.12.024
Maffei, T., Frassoldati, A., Cuoci, A., Ranzi, E., Faravelli, T.
Predictive one step kinetic model of coal pyrolysis for CFD applications
(2013) Proceedings of the Combustion Institute, 34 (2), pp. 2401-2410.
DOI: 10.1016/j.proci.2012.08.006
Gauthier, G., Melkior, T., Salvador, S., Corbetta, M., Frassoldati, A., Pierucci, S., Ranzi, E., Bennadji, H., Fisher, E.M.
Pyrolysis of thick biomass particles: Experimental and kinetic modelling
(2013) Chemical Engineering Transactions, 32, pp. 601-606
DOI: 10.3303/CET1332101
Tavelli, S., Derudi, M., Cuoci, A., Frassoldati, A.
Numerical analysis of pool fire consequences in confined environments
(2013) Chemical Engineering Transactions, 31, pp. 127-132
DOI: 10.3303/CET1331022
2012
Ranzi, E., Frassoldati, A., Grana, R., Cuoci, A., Faravelli, T., Kelley, A.P., Law, C.K.
Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels
(2012) Progress in Energy and Combustion Science, 38 (4), pp. 468-501
DOI: 10.1016/j.pecs.2012.03.004
Manenti, F., Papasidero, D., Cuoci, A., Frassoldati, A., Faravelli, T., Pierucci, S., Ranzi, E., Buzzi-Ferraris, G.
Reactor network analysis of Claus furnace with detailed kinetics
(2012) Computer Aided Chemical Engineering, 30, pp. 1007-1012
DOI: 10.1016/B978-0-444-59520-1.50060-9
Grana, R., Frassoldati, A., Cuoci, A., Faravelli, T., Ranzi, E.
A wide range kinetic modeling study of pyrolysis and oxidation of methyl butanoate and methyl decanoate. Note I: Lumped kinetic model of methyl butanoate and small methyl esters
(2012) Energy, 43 (1), pp. 124-139
DOI: 10.1016/j.energy.2012.01.044
Grana, R., Frassoldati, A., Saggese, C., Faravelli, T., Ranzi, E.
A wide range kinetic modeling study of pyrolysis and oxidation of methyl butanoate and methyl decanoate – Note II: Lumped kinetic model of decomposition and combustion of methyl esters up to methyl decanoate
(2012) Combustion and Flame, 159 (7), pp. 2280-2294
DOI: 10.1016/j.combustflame.2012.02.027
Van Geem, K.M., Cuoci, A., Frassoldati, A., Pyl, S.P., Marin, G.B., Ranzi, E.
An experimental and kinetic modeling study of pyrolysis and combustion of acetone-butanol-ethanol (ABE) mixtures
(2012) Combustion Science and Technology, 184 (7-8), pp. 942-955
DOI: 10.1080/00102202.2012.663987
Frassoldati, A., Grana, R., Faravelli, T., Ranzi, E., Oßwald, P., Kohse-Höinghaus, K.
Detailed kinetic modeling of the combustion of the four butanol isomers in premixed low-pressure flames
(2012) Combustion and Flame, 159 (7), pp. 2295-2311
DOI: 10.1016/j.combustflame.2012.03.002
Barker Hemings, E.I., Cavallotti, C., Cuoci, A., Faravelli, T., Ranzi, E.
A detailed kinetic study of pyrolysis and oxidation of glycerol (propane-1,2,3-triol)
(2012) Combustion Science and Technology, 184 (7-8), pp. 1164-1178
DOI: 10.1080/00102202.2012.664006
Cavallotti, C., Polino, D., Frassoldati, A., Ranzi, E.
Analysis of some reaction pathways active during cyclopentadiene pyrolysis
(2012) Journal of Physical Chemistry A, 116 (13), pp. 3313-3324
DOI: 10.1021/jp212151p
Monaghan, R.F.D., Tahir, R., Cuoci, A., Bourque, G., Füri, M., Gordon, R.L., Faravelli, T., Frassoldati, A., Curran, H.J.
Detailed multi-dimensional study of pollutant formation in a methane diffusion flame
(2012) Energy and Fuels, 26 (3), pp. 1598-1611
DOI: 10.1021/ef201853k
Dixon-Lewis, G., Marshall, P., Ruscic, B., Burcat, A., Goos, E., Cuoci, A., Frassoldati, A., Faravelli, T., Glarborg, P.
Inhibition of hydrogen oxidation by HBr and Br 2
(2012) Combustion and Flame, 159 (2), pp. 528-540
DOI: 10.1016/j.combustflame.2011.08.016
Grana, R., Seshadri, K., Cuoci, A., Niemann, U., Faravelli, T., Ranzi, E.
Kinetic modelling of extinction and autoignition of condensed hydrocarbon fuels in non-premixed flows with comparison to experiment
(2012) Combustion and Flame, 159 (1), pp. 130-141
DOI: 10.1016/j.combustflame.2011.06.019
2011
Seshadri, K., Frassoldati, A., Cuoci, A., Faravelli, T., Niemann, U., Weydert, P., Ranzi, E.
Experimental and kinetic modeling study of combustion of jp-8, its surrogates and components in laminar premixed flows
(2011) Combustion Theory and Modelling, 15 (4), pp. 569-583
DOI: 10.1080/13647830.2011.552635
Frassoldati, A., Faravelli, T., Ranzi, E., Kohse-Höinghaus, K., Westmoreland, P.R.
Kinetic modeling study of ethanol and dimethyl ether addition to premixed low-pressure propene-oxygen-argon flames
(2011) Combustion and Flame, 158 (7), pp. 1264-1276
DOI: 10.1016/j.combustflame.2010.12.015
2010
Frassoldati, A., Cuoci, A., Faravelli, T., Ranzi, E.
Kinetic modeling of the oxidation of ethanol and gasoline surrogate mixtures
(2010) Combustion Science and Technology, 182 (7), pp. 653-667
DOI: 10.1080/00102200903466368
Frassoldati, A., Cuoci, A., Faravelli, T., Ranzi, E., Colantuoni, S., Di Martino, P., Cinque, G., Kern, M., Marinov, S., Zarzalis, N., Da Costa, I., Guin, C.
Fluid dynamics and detailed kinetic modeling of pollutant emissions from lean combustion systems
(2010) Proceedings of the ASME Turbo Expo, 2 (PARTS A AND B), pp. 451-459
DOI: 10.1115/GT2010-22551
Grana, R., Sommariva, S., Maffei, T., Cuoci, A., Faravelli, T., Frassoldati, A., Pierucci, S., Ranzi, E.
Detailed kinetics in the mathematical model of fixed bed gasifiers
(2010) Computer Aided Chemical Engineering, 28 (C), pp. 829-834
DOI: 10.1016/S1570-7946(10)28139-7
Grana, R., Frassoldati, A., Faravelli, T., Niemann, U., Ranzi, E., Seiser, R., Cattolica, R., Seshadri, K.
An experimental and kinetic modeling study of combustion of isomers of butanol
(2010) Combustion and Flame, 157 (11), pp. 2137-2154
DOI: 10.1016/j.combustflame.2010.05.009
Manenti, F., Lima, N.M.N., Liñan, L.Z., Cuoci, A., Frassoldati, A.
Generalized classes for lower levels of supply chain management: Object-oriented approach
(2010) Computer Aided Chemical Engineering, 28 (C), pp. 139-144
DOI: 10.1016/S1570-7946(10)28024-0
Faravelli, T., Frassoldati, A., Migliavacca, G., Ranzi, E.
Detailed kinetic modeling of the thermal degradation of lignins
(2010) Biomass and Bioenergy, 34 (3), pp. 290-301
DOI: 10.1016/j.biombioe.2009.10.018
Frassoldati, A., Sharma, P., Cuoci, A., Faravelli, T., Ranzi, E.
Kinetic and fluid dynamics modeling of methane/hydrogen jet flames in diluted coflow
(2010) Applied Thermal Engineering, 30 (4), pp. 376-383
DOI: 10.1016/j.applthermaleng.2009.10.001
Frassoldati, A., Cuoci, A., Faravelli, T., Niemann, U., Ranzi, E., Seiser, R., Seshadri, K.
An experimental and kinetic modeling study of n-propanol and iso-propanol combustion
(2010) Combustion and Flame, 157 (1), pp. 2-16
DOI: 10.1016/j.combustflame.2009.09.002
Cuoci, A., Frassoldati, A., Patriarca, D., Faravelli, T., Ranzi, E., Bockhorn, H.
Soot formation in turbulent non premixed flames
(2010) Chemical Engineering Transactions, 22, pp. 35-40
DOI: 10.3303/CET1022005
