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

DOI: 10.1007/978-3-030-57802-2_44

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.

DOI: 10.1080/00102202.2018.1452411

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.

DOI: 10.1021/acs.energyfuels.8b01022

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.

DOI: 10.1016/j.cej.2017.03.113

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

DOI: 10.1016/j.cej.2015.08.080

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

DOI: 10.1016/j.proci.2014.06.035

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

DOI: 10.1002/cite.201400013

 

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