Polycyclic aromatic hydrocarbons evolution and interactions with soot particles during fuel surrogates combustion: a rate rules based kinetic model Politecnico di Milano

Format:

Book

Conference/Event

Author/Creator:

Pratali Maffei, Luna, author.

Contributor:

Faravelli, Tiziano

Mao, Qian

Nobili, Andrea

Pelucchi, Matteo

Pitsch, Heinz

Conference Name:

15th International Conference on Engines & Vehicles (2021-09-12 : Capri, Italy)

Language:

English

Physical Description:

1 online resource cm

Place of Publication:

Warrendale, PA SAE International 2021

Summary:

Modeling real fuels combustion remains a difficult task due to the extremely large number of species constituting them. However, for this purpose, multi-component surrogate fuels models with a reduced number of key species and reactions can be used to reproduce the physical and chemical traits of diesel and gasoline, also allowing to perform CFD calculations. Recently, a detailed kinetic model has been developed by merging high-fidelity sub-mechanisms from different research groups, id est C0-C4 chemistry (NUI Galway), linear C6-C7 and iso-octane chemistry (Lawrence Livermore National Laboratory), and monocyclic aromatic hydrocarbons (MAHs) and polycyclic aromatic hydrocarbons (PAHs) (ITV-Aachen and CRECK modelling group Milano). We refer to the model thus obtained as Computational Chemistry Consurtium (C3) model. In this work, the aromatic module of the combined model is revised and updated to improve the model predictive capability in describing the combustion of gasoline TPRF surrogates in ideal reactors and laminar premixed flames. Specifically, a rate rules and reaction classes approach is refined to tailor the kinetics of PAHs, from two to four rings, from that of MAHs, such as cyclopentadiene and benzene, whose kinetics can be instead directly computed from ab-initio quantum chemistry methods. As an example, benzene and phenol are extended to naphthalene and naphthol, while alpha-methylnaphthalene reactivity is updated in analogy to that of toluene. Such modifications lead to a beneficial effect on PAHs predictions in all the operating conditions investigated. Finally, the CRECK soot sub-mechanism is coupled to the surrogate model, highlighting both the benefits of a semi-detailed approach to particles chemistry and the importance of including soot formation and growth kinetics to quantitatively reproduce PAHs concentrations during TPRF combustion at high temperature and pressure conditions as in real combustion engines

Notes:

Vendor supplied data

Publisher Number:

2021-24-0086

Access Restriction:

Restricted for use by site license