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The incorporation of detailed chemistry models in internal combustion engine simulations is becoming mandatory as local, globally lean, low-temperature combustion strategies are setting the path towards a more efficient and environmentally sustainable use of energy resources in transportation. In this paper, we assessed the computational efficiency of a recently developed sparse analytical Jacobian chemistry solver, namely ‘SpeedCHEM’, that features both direct and Krylov-subspace solution methods for maximum efficiency for both small and large mechanism sizes. The code was coupled with a high-dimensional clustering algorithm for grouping homogeneous reactors into clusters with similar states and reactivities, to speed-up the chemical kinetics solution in multi-dimensional combustion simulations.

Computational fluid dynamics of gas-fueled large-bore spark ignition engines with pre-chamber ignition can speed up the design process of these engines provided that 1) the reliability of the results is not affected by poor meshing and 2) the time cost of the meshing process does not negatively compensate for the advantages of running a computer simulation. In this work a flame propagation model that runs with arbitrary hybrid meshes was developed and coupled with the KIVA4-MHI CFD solver, in order to address these aims. The solver follows the G-Equation level-set method for turbulent flame propagation by Tan and Reitz, and employs improved numerics to handle meshes featuring different cell types such as hexahedra, tetrahedra, square pyramids and triangular prisms. Detailed reaction kinetics from the SpeedCHEM solver are used to compute the non-equilibrium composition evolution downstream and upstream of the flame surface, where chemical equilibrium is instead assumed.

In this paper, we studied the accuracy of computational modeling of the ignition of a pilot injectionin the Sandia National Laboratories (SNL) light-duty optical engine facility, using the physical properties of a cetane/iso-cetane Diesel Primary Reference Fuel (DPRF) mixture and the reaction kinetics of a well-validated mechanism for primary reference fuels. Local fuel-air equivalence ratio measurements from fuel tracer based planar laser-induced fluorescence (PLIF) experiments were used to compare the mixture formation predictions with KIVA-ERC-based simulations. The effects of variations in injection mass from 1 mg to 4 mg, in-cylinder swirl ratio, and near-TDC temperatures on non-combusting mixture preparation were analyzed, to assess the accuracy of the model in capturing average jet behavior, despite its inability to model the non-negligible jet-by-jet variations seen in the experiments.

Modeling ignition kernel development in spark ignition engines is crucial to capturing the sources of cyclic variability, both with RANS and LES simulations. Appropriate kernel modeling must ensure that energy transfer from the electrodes to the gas phase has the correct timing, rate and locations, until the flame surface is large enough to be represented on the mesh by the G-Equation level-set method. However, in most kernel models, geometric details driving kernel growth are missing: either because it is described as Lagrangian particles, or because its development is simplified, i.e., down to multiple spherical flames. This paper covers the geometric aspects of kernel development, which makes up the core of a Triangulated Lagrangian Ignition Kernel model. One (or multiple, if it restrikes) spark channel is initialized as a one-dimensional Lagrangian particle thread.

A one-dimensional, non-equilibrium, compressible law of the wall model is proposed to increase the accuracy of heat transfer predictions from computational fluid dynamics (CFD) simulations of internal combustion engine flows on engineering grids. Our 1D model solves the transient turbulent Navier-Stokes equations for mass, momentum, energy and turbulence under the thin-layer assumption, using a finite-difference spatial scheme and a high-order implicit time integration method. A new algebraic eddy-viscosity closure, derived from the Han-Reitz equilibrium law of the wall, with enhanced Prandtl number sensitivity and compressibility effects, was developed for optimal performance. Several eddy viscosity sub-models were tested for turbulence closure, including the two-equation k-epsilon and k-omega, which gave insufficient performance.

Diesel piston bowl geometry can affect turbulent mixing and therefore it impacts heat-release rates, thermal efficiency, and soot emissions. The focus of this work is on the effects of bowl geometry and injection timing on turbulent flow structure. This computational study compares engine behavior with two pistons representing competing approaches to combustion chamber design: a conventional, re-entrant piston bowl and a stepped-lip piston bowl. Three-dimensional computational fluid dynamics (CFD) simulations are performed for a part-load, conventional diesel combustion operating point with a pilot-main injection strategy under non-combusting conditions. Two injection timings are simulated based on experimental findings: an injection timing for which the stepped-lip piston enables significant efficiency and emissions benefits, and an injection timing with diminished benefits compared to the conventional, re-entrant piston.

Sector mesh modeling is the dominant computational approach for combustion system design optimization. The aim of this work is to quantify the errors descending from the sector mesh approach through three geometric modeling approaches to an optical diesel engine. A full engine geometry mesh is created, including valves and intake and exhaust ports and runners, and a full-cycle flow simulation is performed until fired TDC. Next, an axisymmetric sector cylinder mesh is initialized with homogeneous bulk in-cylinder initial conditions initialized from the full-cycle simulation. Finally, a 360-degree azimuthal mesh of the cylinder is initialized with flow and thermodynamics fields at IVC mapped from the full engine geometry using a conservative interpolation approach. A study of the in-cylinder flow features until TDC showed that the geometric features on the cylinder head (valve tilt and protrusion into the combustion chamber, valve recesses) have a large impact on flow complexity.

In this work computational and experimental approaches are combined to characterize in-cylinder flow structures and local flow field properties during operation of the Sandia 1.9L light-duty optical Diesel engine. A full computational model of the single-cylinder research engine was used that considers the complete intake and exhaust runners and plenums, as well as the adjustable throttling devices used in the experiments to obtain different swirl ratios. The in-cylinder flow predictions were validated against an extensive set of planar PIV measurements at different vertical locations in the combustion chamber for different swirl ratio configurations. Principal Component Analysis was used to characterize precession, tilting and eccentricity, and regional averages of the in-cylinder turbulence properties in the squish region and the piston bowl.