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The high-pressure isobaric combustion has been proposed as the most suitable combustion mode for the double compre4ssion expansion engine (DCEE) concept. Previous experimental and simulation studies have demonstrated an improved efficiency compared to the conventional diesel combustion (CDC) engine. In the current study, isobaric combustion was achieved using a single injector with multiple injections. Since this concept involves complex phenomena such as spray to spray interactions, the computational models were extensively validated against the optical engine experiment data, to ensure high-fidelity simulations. The considered optical diagnostic techniques are Mie-scattering, fuel tracer planar laser-induced fluorescence (PLIF), and natural flame luminosity imaging. Overall, a good agreement between the numerical and experimental results was obtained.

In order to understand supercritical jet flows further, well resolved large eddy simulations (LES) of a n-dodecane jet mixing with surrounding nitrogen are conducted. A real fluid thermodynamic model is used to account for the fuel compressibility and variable thermophysical properties due to the solubility of ambient gas and liquid jet using the cubic Peng-Robinson equation of state (PR-EOS). A molar averaged homogeneous mixing rule is used to calculate the mixing properties. The thermodynamic model is coupled with a pressure-based solver to simulate multispecies reacting flows. The numerical model is based on a second order accurate method implemented in the open source OpenFOAM-6 software. First, to evaluate the present numerical model for sprays, 1D advection and shock tube benchmark problems at supercritical conditions are shown.

The focus of this study is to aid the development of the isobaric combustion engine by investigating multiple injection strategies at moderately high pressures. A three-dimensional (3D) commercial computational fluid dynamics (CFD) code, CONVERGE, was used to conduct simulations. The validation of the isobaric combustion case was carried out through the use of a single injector with multiple injections. The computational simulations were matched to the experimental data using methods outlined in this paper for different multiple injection cases. A sensitivity analysis to understand the effects of different modeling components on the quantitative prediction was carried out. First, the effects of the kinetic mechanisms were assessed by employing different chemical mechanisms, and the results showed no significant difference in the conditions under consideration.

Towards a fundamental understanding of the ignition characteristics of pre-chamber (PC) combustion engines, computational fluid dynamics (CFD) simulations were conducted using CONVERGE. To assist the initial design of the KAUST pre-chamber engine experiments, the primary focus of the present study was to assess the impact of design parameters such as throat diameter, nozzle diameter, and nozzle length. The well-stirred reactor combustion model coupled with a methane oxidation mechanism reduced from GRI 3.0 was used. A homogeneous charge of methane and air with λ = 1.3 on both the PC and main chamber (MC) was assumed. The geometrical parameters were shown to affect the pre-chamber combustion characteristics, such as pressure build-up, radical formation, and heat release as well as the composition of the jets penetrating and igniting the main chamber charge. In addition, the backflow of species pushed inside the pre-chamber due to the flow reversal (FR) event was analyzed.

To provide insights into the fundamental characteristics of pre-chamber combustion engines, the ignition of lean premixed CH4/air due to hot gas jets initiated by a passive narrow throated pre-chamber in a heavy-duty engine was studied computationally. A twelve-hole pre-chamber geometry was investigated using CONVERGETM software. The numerical model was validated against the experimental results. To elucidate the main-chamber ignition mechanism, the spark plug location and spark timing were varied, resulting in different pressure gradient during turbulent jet formation. Different ignition mechanisms were observed for turbulent jet ignition of lean premixed CH4/air, based on the geometry effect. Ignition behavior was classified into the flame and jet ignition depending on the significant presence of hot active radicals. The jet ignition, mainly due to hot product gases was found to be advanced by the addition of a small concentration of radicals.

A comprehensive methodology for predicting the transient thermal response of spark-ignition engines subject to time-varying boundary conditions is presented. The approach is based on coupling a cycle-resolved quasi-dimensional simulation of in-cylinder thermodynamic events with a resistor-capacitor (R-C) thermal network of the various component and fluid interactions throughout the engine and exhaust system. The dynamic time step of the thermal solution is limited by either the frequency of the prescribed time-dependent boundary conditions or by the minimum thermal time constant of the R-C network. To demonstrate the need for fully-coupled, transient thermodynamic and heat transfer solutions, model behavior is first explored for step-change and staircase variations of engine operating conditions.

A numerical study has been conducted to investigate possible extension of the low load limit of the HCCI operating range by charge stratification using direct injection. A wide range of SOI timings at a low load HCCI engine operating condition were numerically examined to investigate the effect of DI. A multidimensional CFD code KIVA3v with a turbulent combustion model based on a modified flamelet approach was used for the numerical study. The CFD code was validated against experimental data by comparing pressure traces at different SOI’s. A parametric study on the effect of SOI on combustion has been carried out using the validated code. Two parameters, the combustion efficiency and CO emissions, were chosen to examine the effect of SOI on combustion, which showed good agreement between numerical results and experiments. Analysis of the in-cylinder flow field was carried out to identify the source of CO emissions at various SOI’s.

This paper reports the development of a model of diesel combustion and NO emissions, based on a modified eddy dissipation concept (EDC), and its implementation into the KIVA-3V multidimensional simulation. The EDC model allows for more realistic representation of the thin sub-grid scale reaction zone as well as the small-scale molecular mixing processes. Realistic chemical kinetic mechanisms for n-heptane combustion and NOx formation processes are fully incorporated. A model based on the normalized fuel mass fraction is implemented to transition between ignition and combustion. The modeling approach has been validated by comparison with experimental data for a range of operating conditions. Predicted cylinder pressure and heat release rates agree well with measurements. The predictions for NO concentration show a consistent trend with experiments. Overall, the results demonstrate the improved capability of the model for predictions of the combustion process.

Numerical simulations were conducted to systematically assess the effects of different spray models on the ignition delay predictions and compared with experimental measurements obtained at the KAUST ignition quality tester (IQT) facility. The influence of physical properties and chemical kinetics over the ignition delay time is also investigated. The IQT experiments provided the pressure traces as the main observables, which are not sufficient to obtain a detailed understanding of physical (breakup, evaporation) and chemical (reactivity) processes associated with auto-ignition. A three-dimensional computational fluid dynamics (CFD) code, CONVERGE™, was used to capture the detailed fluid/spray dynamics and chemical characteristics within the IQT configuration. The Reynolds-averaged Navier-Stokes (RANS) turbulence with multi-zone chemistry sub-models was adopted with a reduced chemical kinetic mechanism for n-heptane and iso-octane.

To elucidate the complex characteristics of pre-chamber combustion engines, the interaction of the hot gas jets initiated by an active narrow throated pre-chamber with lean premixed CH4/air in a heavy-duty engine was studied computationally. A twelve-hole KAUST proprietary pre-chamber geometry was investigated using CONVERGE software. The KAUST pre-chamber has an upper conical part with the spark plug, and fuel injector, followed by a straight narrow region called the throat and nozzles connecting the chambers. The simulations were run for an entire cycle, starting at the previous cycle's exhaust valve opening (EVO). The SAGE combustion model was used with the chemistry modeled using a reduced methane oxidation mechanism based on GRI Mech 3.0, which was validated against in-house OH chemiluminescence data from the optical engine experiments.

This paper investigated the spray characteristics of methanol under the flash and non-flash boiling conditions defined by the Engine Combustion Network (ECN) Spray G. As a counterpart, the spray features of iso-octane were also simulated and compared to methanol. The Volume of Fluid (VOF) approach under the Eulerian scheme was employed to model the internal nozzle flow details, which information was used to initialize the spray parcels and taken as input for the Lagrangian simulations, namely, the one-way coupling method. Since the Eulerian high-fidelity simulations allow capturing the effects of the flow inside the non-symmetrical injector, the rate of injection (ROI) profile, discharge coefficient, and plume angle et al. are not required for the Lagrangian simulations. The simulation results show that the flash boiling led to longer penetrations and higher evaporation compared to the non-flash boiling condition for both fuels.

This work presents a numerical study of the Spray A (n-dodecane) characteristics using Eulerian and Lagrangian models in a finite-volume framework. The standard k-ε turbulence model was applied for the spray simulations. For Eulerian simulations, the X-ray measured injector geometries from the Engine Combustion Network (ECN) were employed. The High-Resolution Interface Capturing (HRIC) scheme coupled with a cavitation model was utilized to track the fluid-gas interface. Simulations under both the cool and hot ambient conditions were performed. The effects of various grid sizes, turbulence constants, nozzle geometries, and initial gas volume within the injector sac on the modeling results were evaluated. As indicated by the Eulerian simulation results, no cavitation was observed for the Spray A injector; a minimum mesh size of 15.6 μm could achieve a reasonably convergent criterion; the nominal nozzle geometry predicted similar results to the X-ray measured nozzle geometry.

The pre-chamber combustion can extend the lean limit of internal combustion engines (ICE) and hence increase their overall efficiency. Compared to active pre-chambers equipped with an auxiliary fuel supply system, passive pre-chambers have lower manufacturing costs and require minimal or no design modifications to the conventional spark plug engines. The major challenge of the passive pre-chamber is to extend the lean limit as much as the active pre-chamber. Computational fluid dynamics (CFD) simulations were conducted on a light-duty single-cylinder engine geometry fitted with a passive pre-chamber and using iso-octane as fuel to investigate and optimize the passive pre-chamber fuel enrichment through the pre-chamber nozzles. The non-reacting flow simulations were performed from the intake valve open (IVO) to spark timing.

The Wankel rotary engine has been an attractive alternative for transportation due to its unique features of lightweight construction, small size, high power density, and adaptability to various fuels. This paper aims to investigate the performance of air-fuel mixing in a hydrogen-fuelled Wankel rotary engine using different fuelling strategies. To achieve this, 3D computational fluid dynamics (CFD) simulations were conducted using CONVERGE software on a prototype engine with a displacement of 225 cc, manufactured by Advanced Innovative Engineering UK. Initially, the simulations were validated by comparing the results with experimental data obtained from the engine fuelled with conventional gasoline under both motored and fired conditions. After validating the model, simulations were conducted on the premixed hydrogen engine combustion, followed by more detailed simulations of port fuel injection (PFI) and direct injection (DI) of hydrogen in the engine.

Hydrogen is anticipated to play a pivotal role as a green energy carrier in both heavy industry and transportation. Utilizing hydrogen directly in internal combustion engines (ICE) could offer several advantages compared to alternative technologies. To achieve this objective, a proper understanding of the physical mechanisms and dynamics involved in the injection of this fuel is needed. This study applied high-fidelity computational fluid dynamics (CFD) simulations to describe the flow characteristics of hydrogen injection using hollow- and single- and multi-solid-cone injectors and their effect on mixing quality and characteristics in a constant volume quiescent environment. A reference hollow-cone configuration was used to validate the model. The results indicate that solid-cone configurations achieve greater penetration due to the flow patterns they generate. However, an increase in the number of holes leads to reduced penetration length, projected area, and induced turbulence.

The urgent need to combat global warming has spurred legislative efforts within the transport sector to transition away from fossil fuels. Hydrogen is increasingly being utilised as a green energy vector, which can aid the decarbonisation of transport, including internal combustion engines. Computational fluid dynamics (CFD) is widely used as a tool to study and optimise combustion systems especially in combination with new fuels like hydrogen. Since the behaviour of the injection event significantly impacts combustion and emissions formation especially in direct injection applications, the accurate modelling of H2 injection is imperative for effective design of hydrogen combustion systems. This work aims to evaluate unsteady Reynolds-Averaged Navier Stokes (URANS) modelling of the advective transport process and related numerical methods.