Numerical modelling

section-49dc337

Two main strategies will be used:

1. High-fidelity CFD modelling, which requires accurate sub-models for atomisation, chemistry, and turbulence–chemistry interaction. Within FFLECS, partners will advance these components: IC, KIT/ITS, and CNRS will improve atomisation models (including electromagnetic-field effects); UNINA will refine soot models for SAF and dual-fuel SAF/H₂ systems; UNIFI and UCAM will integrate these developments into advanced turbulent-combustion models (ATF, CMC), with attention to dual-fuel operation, NOx, and PM. Plasma-assisted combustion will also be incorporated. UCAM will extend the Doubly-Conditioned Moment Closure model for dual-fuel kinetics, while UNIFI will adapt LES-ATF methods for dual-fuel flame structures. IC will couple DNS/LES with Maxwell equations to predict combustion and spray behaviour in electric fields.

2. Low-order modelling, which captures key physics at much lower computational cost, will also be expanded. Reactor-network models will be enhanced using the Imperfectly Stirred Reactor Network method (UCAM) and UNIFI’s CRN experience. Zero-dimensional plasma-combustion and plasma-discharge models (UNILE) will integrate ZDPlasKin and CHEMKIN. Machine-learning tools—especially ANN-based control loops—will support real-time electric-field actuation for flame stabilisation, using sensors such as ion probes.

FFLECS will further develop advanced multi-physics numerical tools to study phenomena difficult to measure experimentally. CNRS will extend atomisation models based on curvature-distribution methods; KIT will apply Smoothed Particle Hydrodynamics to simulate electro-hydrodynamically enhanced liquid breakup; IC will use reactive molecular dynamics (ReaxFF, QTPIE, eFF/eReaxFF) to analyse electromagnetic effects during atomisation and combustion.

All modelling efforts will rely on improved chemical-kinetic schemes for dual-fuel (H₂ + SAF) combustion and updated PM/NOx formation pathways. UNINA contributes a detailed hydrocarbon-oxidation and PM-formation mechanism with sectional particle modelling that predicts particle mass, composition, and structure.

Funded by the European Union. Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European Union. Neither the European Union nor the granting authority can be held responsible for them.