Work Package 3

Models and methods

Numerical analysis and simulations of combustion of ammonia/biodiesel mixtures and emissions formation in CI engines from WP1 and WP2 will be carried out by LOGE.

Simulations will employ CONVERGE, a three-dimensional fluid dynamics (3D CFD) code and zero-dimensional (0D) stochastic reactor model (SRM) from LOGEengine platform.

Local phenomena, such as: mixture formation, turbulence effects, ignition characteristics, geometry effects, will be obtained from 3D CFD. Engine in-cylinder performance parameters that are influenced by cycle-to-cycle variation, such as: exhaust emissions, combustion rates, will come from the 0D SRM. Both 0D and 3D models will be used complementarily in a co-optimization.

Simulation chain application

The same detailed reaction mechanism of combustion and emissions formation from biodiesel and ammonia will be used in both 3D and 0D numerical models.

Numerical simulations and optimization will support the experimental works with respect to:

developing fuel injection strategy,
investigating mixture formation,
analyzing combustion stability,
quantifying the impact of combustion chamber geometry

and fuel composition (biodiesel/ammonia) on combustion and emissions formation.

Furthermore, the combined application of 3D CFD, 0D SRM along with detailed chemistry and optimization algorithms consideration will be targeted at the development of an overall methodology for simulating combustion engines fuelled with biodiesel/ammonia mixtures that can be extrapolated to other combustion engines and to support their retrofitting to the use of ammonia.

Milestones

M3.1 Calibrated 3D CFD model and applicable to the simulation of flow conditions to help in positioning of ammonia injector in the combustion chamber ☑ achieved

M3.2 Calibrated 3D CFD and 0D SRM and applicable to the simulation of ammonia/biodiesel mixtures ☑ achieved

M3.3 Simulation process enabling extrapolation of findings from this work to other engines and operating conditions and hence, also optimization of engine
performance map for a given constraints such as combustion stability or engine load ☑ achieved