PRATALI MAFFEI, LUNA
PRATALI MAFFEI, LUNA
DIPARTIMENTO DI CHIMICA, MATERIALI E INGEGNERIA CHIMICA "GIULIO NATTA"
A lumped kinetic model and experimental investigation of poly(ethylene terephthalate) condensed-phase pyrolysis
2024-01-01 Locaspi, A.; Akin, O.; Withoeck, D.; Havaei, M.; Frassoldati, A.; Pratali Maffei, L.; Pelucchi, M.; Mehl, M.; Varghese, R. J.; Van Geem, K. M.; Faravelli, T.
A new detailed kinetic model for surrogate fuels: C3MechV3.3
2022-01-01 Dong, Shijun; Wagnon, Scott W.; Pratali Maffei, Luna; Kukkadapu, Goutham; Nobili, Andrea; Mao, Qian; Pelucchi, Matteo; Cai, Liming; Zhang, Kuiwen; Raju, Mandhapati; Chatterjee, Tanusree; Pitz, William J.; Faravelli, Tiziano; Pitsch, Heinz; Senecal, Peter Kelly; Curran, Henry J.
An experimental, theoretical and kinetic-modeling study of hydrogen sulfide pyrolysis and oxidation
2022-01-01 Stagni, Alessandro; Arunthanayothin, Suphaporn; PRATALI MAFFEI, Luna; Herbinet, Olivier; Battin-Leclerc, Fr??d??rique; Faravelli, Tiziano
Automated identification and calculation of prompt effects in kinetic mechanisms using statistical models
2022-01-01 Pratali Maffei, L.; Moore, K. B.; Georgievskii, Y.; Mulvihill, C. R.; Elliott, S. N.; Cho, J.; Sivaramakrishnan, R.; Faravelli, T.; Klippenstein, S. J.
Automated Kinetic Mechanism Evaluation for e-Fuels Using SciExpeM: The Case of Oxymethylene Ethers
2023-01-01 Dinelli, Timoteo; Pratali Maffei, Luna; Pegurri, Alessandro; Puri, Amedeo; Stagni, Alessandro; Faravelli, Tiziano
Combined Experimental and Theoretical Studies of the O(3P) + 1-Butene Reaction Dynamics: Primary Products, Branching Fractions, and Role of Intersystem Crossing
2019-01-01 Caracciolo, A.; Vanuzzo, G.; Balucani, N.; Stranges, D.; Casavecchia, P.; Pratali Maffei, L.; Cavallotti, C.
Coupling chemical lumping to data-driven optimization for the kinetic modeling of dimethoxymethane (DMM) combustion
2024-01-01 Pegurri, Alessandro; Dinelli, Timoteo; Pratali Maffei, Luna; Faravelli, Tiziano; Stagni, Alessandro
Electronic structure-based rate rules for H: ipso addition-elimination reactions on mono-aromatic hydrocarbons with single and double OH/CH3/OCH3/CHO/C2H5substituents: a systematic theoretical investigation
2020-01-01 Pratali Maffei, L.; Faravelli, T.; Cavallotti, C.; Pelucchi, M.
Experimental and kinetic modeling study of α-methylnaphthalene laminar flame speeds
2022-01-01 Nobili, A.; Pratali Maffei, L.; Pelucchi, M.; Mehl, M.; Frassoldati, A.; Comandini, A.; Chaumeix, N.
Experimental and modeling study of benzaldehyde oxidation
2020-01-01 Namysl, S.; Pelucchi, M.; Pratali Maffei, L.; Herbinet, O.; Stagni, A.; Faravelli, T.; Battin-Leclerc, F.
First-principles investigation of hydrogen-related reactions on (100)–(2 × 1):H diamond surfaces
2024-01-01 Guillaume, Emerick Y.; Vanpoucke, Danny E. P.; Rouzbahani, Rozita; Pratali Maffei, Luna; Pelucchi, Matteo; Olivier, Yoann; Henrard, Luc; Haenen, Ken
Fulvenallenyl Radical (C7H5·)-Mediated Gas-Phase Synthesis of Bicyclic Aromatic C10H8 Isomers: Can Fulvenallenyl Efficiently React with Closed-Shell Hydrocarbons?
2024-01-01 Mebel, Alexander M.; Li, Wang; Pratali Maffei, Luna; Cavallotti, Carlo; Morozov, Alexander N.; Wang, Chang-Yang; Yang, Jiu-Zhong; Zhao, Long; Kaiser, Ralf I.
Investigation of Methylcyclopentadiene Reactivity: Abstraction Reactions and Methylcyclopentadienyl Radical Unimolecular Decomposition
2023-01-01 Hanamirian, Burak; Della Libera, Andrea; Pratali Maffei, Luna; Cavallotti, Carlo
Master equation lumping for multi-well potential energy surfaces: A bridge between ab initio based rate constant calculations and large kinetic mechanisms
2021-01-01 Pratali Maffei, L.; Pelucchi, M.; Cavallotti, C.; Bertolino, A.; Faravelli, T.
Mechanism and kinetics of the oxidation of propargyl radical by atomic oxygen
2024-01-01 Alarcon, Juan F.; Morozov, Alexander N.; Mebel, Alexander M.; Della Libera, Andrea; Pratali Maffei, Luna; Cavallotti, Carlo
New insights into the oxidation chemistry of pyrrole, an N-containing biomass tar component
2023-01-01 Chen, B.; Liu, P.; Pelucchi, M.; Giudici, C.; Pratali Maffei, L.; Faller, S.; Xu, Q.; Huang, J.; Zhang, F.; Huang, C.; Leonherd, K.; Wang, Z.; Mehl, M.; Roberts, W. L.; Faravelli, T.; Pitsch, H.
On the radical behavior of large polycyclic aromatic hydrocarbons in soot formation and oxidation
2022-01-01 Nobili, A.; Pratali Maffei, L.; Baggioli, A.; Pelucchi, M.; Cuoci, A.; Cavallotti, C.; Faravelli, T.
Radical Stereochemistry: Accounting for Diastereomers in Kinetic Mechanism Development
2024-01-01 Copan, Andreas V.; Moore, Kevin B.; Elliott, Sarah N.; Mulvihill, Clayton R.; Pratali Maffei, Luna; Klippenstein, Stephen J.
Rate constants for H-atom abstraction reactions from mono-aromatic hydrocarbons by H, CH3, OH and 3O2: A systematic theoretical investigation
2022-01-01 Pratali Maffei, L.; Pelucchi, M.; Buttgen, R. D.; Heufer, K. A.; Faravelli, T.; Cavallotti, C.
Rate rules for the reactions of oxygen atoms with terminal alkenes
2019-01-01 Pratali Maffei, L.; Cavallotti, C.; Caracciolo, A.; Balucani, N.; Casavecchia, P.