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Model guided application (MGA) combining physico-chemical internal combustion engine simulation with advanced analytics offers a robust framework to develop and test particle number (PN) emissions reduction strategies. The digital engineering workflow presented in this paper integrates the kinetics & SRM Engine Suite with parameter estimation techniques applicable to the simulation of particle formation and dynamics in gasoline direct injection (GDI) spark ignition (SI) engines. The evolution of the particle population characteristics at engine-out and through the sampling system is investigated. The particle population balance model is extended beyond soot to include sulphates and soluble organic fractions (SOF). This particle model is coupled with the gas phase chemistry precursors and is solved using a sectional method. The combustion chamber is divided into a wall zone and a bulk zone and the fuel impingement on the cylinder wall is simulated.

Digital engineering workflows, involving physico-chemical simulation and advanced statistical algorithms, offer a robust and cost-effective methodology for model-based internal combustion engine development. In this paper, a modern Tier 4 capable Cat® C4.4 engine is modelled using a digital workflow that combines the probability density function (PDF)-based Stochastic Reactor Model (SRM) Engine Suite with the statistical Model Development Suite (MoDS). In particular, an advanced multi-zonal approach is developed and applied to simulate fuels, in-cylinder combustion and gas phase as well as particulate emissions characteristics, validated against measurements and benchmarked with respect to the predictive power and computational costs of the baseline model. The multi-zonal SRM characterises the combustion chamber on the basis of different multi-dimensional PDFs dependent upon the bulk or the thermal boundary layer in contact with the cylinder liner.

Employing detailed chemistry into modern engine simulation technologies has potential to enhance the robustness and predictive power of such tools. Specifically this means significant advancements in the ability to compute the onset of ignition, low and high temperature heat release, local extinction, knocking, exhaust gas emissions formation etc. resulting in a set of tools which can be employed to carry out virtual engineering studies and add additional insight into common IC engine development activities such as computing IMEP, identifying safe/feasible operating ranges, minimizing exhaust gas emissions and optimizing operating strategy. However the adoption of detailed chemistry comes at a greater computational cost, this paper investigates the means to retain computational robustness and ease of use whist reducing computational timescales.

Premixed Charge Compression Ignition (PCCI), a Low Temperature Combustion (LTC) strategy for diesel engines is of increasing interest due to its potential to simultaneously reduce soot and NOx emissions. However, the influence of mixture preparation on combustion phasing and heat release rate in LTC is not fully understood. In the present study, the influence of injection timing on mixture preparation, combustion and emissions in PCCI mode is investigated by experimental and computational methods. A sequential coupling approach of 3D CFD with a Stochastic Reactor Model (SRM) is used to simulate the PCCI engine. The SRM accounts for detailed chemical kinetics, convective heat transfer and turbulent micro-mixing. In this integrated approach, the temperature-equivalence ratio statistics obtained using KIVA 3V are mapped onto the stochastic particle ensemble used in the SRM.