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The morphology of the internal flow of Spray C was numerically investigated using an Eulerian volume-of-fluid (VOF) method in the finite-volume framework. The injector geometry available in the Engine Combustion Network (ECN) was employed, and the simulations were performed under the ambient condition at 900 K and 60 bar. The simulation data were analyzed for three important events: the initial nozzle opening, steady injection, and nozzle closing. First, projected densities on XY and XZ planes are computed radially at four axial locations. Projected density at 2 mm is compared with available experimental results, which show similar results. Then, the mass flow rate is found to match the reported experimental results and the virtually generated values from CMT using an appropriate discharge coefficient. An investigation on the appropriate discharge coefficient is performed and found that Cd = 0.63 ± 0.02 is acceptable for Spray C.

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 utilization of H2 to catalytically treat NO emissions under lean-burn engine exhaust conditions was studied on Pt- and Pd-containing catalysts supported on CeO2 and MgO. The catalytic performance was examined using a fixed-bed reactor whose dry effluent gas stream was analyzed by an online FTIR analyzer. The catalysts NO conversion and N2 selectivity were measured in the range of 125-3000C with a feed gas composition of 0.05%NO/1%H2/10%O2/N2. The CeO2-based catalysts exhibited higher NO conversion, and the most effective catalyst was Pd/CeO2, with a conversion of 67% and selectivity of 70% near 2300C. The prepared solids were characterized using different techniques (BET, ICP-OES, CO pulse chemisorption, STEM, EELS and EDS) to correlate the structural and morphological properties of the metallic phase and the support with the catalytic activity. CeO2 is a more effective support as it yields higher metal dispersion and better facilitates the reduction of the Pt and Pd catalysts.

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.

Super-knock that occurs in spark ignition (SI) engines is investigated using two-dimensional (2D) numerical simulations. The temperature, pressure, velocity, and mixture distributions are obtained and mapped from a top dead center (TDC) slice of full-cycle three-dimensional (3D) engine simulations. Ignition is triggered at one end of the cylinder and a hot spot of known temperature was used to initiate a pre-ignition front to study super-knock. The computational fluid dynamics code CONVERGE was used for the simulations. A minimum grid size of 25 μm was employed to capture the shock wave and detonation inside the domain. The Reynolds-averaged Navier-Stokes (RANS) method was employed to represent the turbulent flow and gas-phase combustion chemistry was represented using a reduced chemical kinetic mechanism for primary reference fuels. A multi-zone model, based on a well-stirred reactor assumption, was used to solve the reaction terms.

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.

Full cycle simulations of KAUST optical diesel engine were conducted in order to provide insights into the details of fuel spray, mixing, and combustion characteristics at different start of injection (SOI) conditions. Although optical diagnostics provide valuable information, the high fidelity simulations with matched parametric conditions improve fundamental understanding of relevant physical and chemical processes by accessing additional observables such as the local mixture distribution, intermediate species concentrations, and detailed chemical reaction rates. Commercial software, CONVERGE™, was used as the main simulation tool, with the Reynolds averaged Navier-Stokes (RANS) turbulence model and the multi-zone (SAGE) combustion model to compute the chemical reaction terms. SOI is varied from late compression ignition (CI) to early partially premixed combustion (PPC) conditions.

The auto-ignition characteristics of diethyl ether (DEE)/ethanol mixtures are investigated in compression ignition (CI) engines both numerically and experimentally. While DEE has a higher derived cetane number (DCN) of 139, ethanol exhibits poor ignition characteristics with a DCN of 8. DEE was used as an ignition promoter for the operation of ethanol in a CI engine. Mixtures of DEE and ethanol (DE), i.e., DE75 (75% DEE + 25% ethanol), DE50 (50% DEE + 50% ethanol) and DE25 (25% DEE + 75% ethanol), were tested in a CI engine. While DE75 and DE50 auto-ignited at an inlet air pressure of 1.5 bar, DE25 failed to auto-ignite even at boosted pressure of 2 bar. The peak in-cylinder pressure for diesel and DE75 were comparable, while DE50 showed reduced peak in-cylinder pressure with delayed start of combustion (SOC). Numerical simulations were conducted to study the engine combustion characteristics of DE mixture.

The US Department of Energy has formulated different gasoline fuels called ''Fuels for Advanced Combustion Engines (FACE)'' to standardize their compositions. FACE I is a low octane number gasoline fuel with research octane number (RON) of approximately 70. The detailed hydrocarbon analysis (DHA) of FACE I shows that it contains 33 components. This large number of components cannot be handled in fuel spray simulation where thousands of droplets are directly injected in combustion chamber. These droplets are to be heated, broken-up, collided and evaporated simultaneously. Heating and evaporation of single droplet FACE I fuel was investigated. The heating and evaporation model accounts for the effects of finite thermal conductivity, finite liquid diffusivity and recirculation inside the droplet, referred to as the effective thermal conductivity/effective diffusivity (ETC/ED) model.

Gasoline compression ignition (GCI) engines have been considered an attractive alternative to traditional spark ignition engines. Low octane gasoline fuel has been identified as a viable option for the GCI engine applications due to its longer ignition delay characteristics compared to diesel and in the volatility range of gasoline fuels. In this study, we have investigated the effect of different injection timings at part-load conditions using light naphtha stream in single cylinder engine experiments in the GCI combustion mode with injection pressure of 130 bar. A toluene primary reference fuel (TPRF) was used as a surrogate for the light naphtha in the engine simulations performed here. A physical surrogate based on the evaporation characteristics of the light naphtha has been developed and its properties have been implemented in the engine simulations.

Pre-ignition in SI engine is a critical issue that needs addressing as it may lead to super knock event. It is widely accepted that pre-ignition event emanates from hot spot(s) that can be anywhere inside the combustion chamber. The location and timing of hotspot is expected to influence the knock intensity from a pre-ignition event. In this study, we study the effect of location and timing of hot spot inside the combustion chamber using numerical simulations. The simulation is performed using a three-dimensional computational fluid dynamics (CFD) code, CONVERGE™. We simulate 3-D engine geometry coupled with chemistry, turbulence and moving structures (valves, piston). G-equation model for flame tracking coupled with multi-zone model is utilized to capture auto-ignition (knock) and solve gas phase kinetics. A parametric study on the effect of hot spot timing and location inside the combustion chamber is performed.

The standard capability of engine experimental studies is that ensemble averaged quantities like in-cylinder pressure from multiple cycles and emissions are reported and the cycle to cycle variation (CCV) of indicated mean effective pressure (IMEP) is captured from many consecutive combustion cycles for each test condition. However, obtaining 3D spatial distribution of all the relevant quantities such as fuel-air mixing, temperature, turbulence levels and emissions from such experiments is a challenging task. Computational Fluid Dynamics (CFD) simulations of engine flow and combustion can be used effectively to visualize such 3D spatial distributions. A dual fuel engine is considered in the current study, with manifold injected natural gas (NG) and direct injected diesel pilot for ignition.

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.

The experimental in-cylinder combustion process was compared with the numerical simualtion for naphtha fuel under conventional compression ignition (CI) and partially premixed combustion (PPC) conditions. The start of injection timing (SOI) with the single injection strategy was changed from late of −10 CAD aTDC to early of −40 CAD aTDC. The three-dimensional full cycle engine combustion simulation was performed coupling with gas phase chemical kinetics by the CFD code CONVERGE™. The flame index was used for evaluating the combustion evolution of premixed flame and diffusion flame. The results show that the flame index could be used as an indicator for in-cylinder homogeneity evaluation. Hydroperoxyl shows a similar distribution with the premixed combustion. Formaldehyde could be used as an indicator for low temperature combustion.

Alcohols are potential blending agents for diesel that can be effectively used in compression ignition engines. This work investigates the use of n-butanol as a blending component for diesel fuel using experiments and simulations. Dodecane was selected as a surrogate for diesel fuel and various concentrations of n-butanol were added to study ignition characteristics. Ignition delay times for different n-butanol/dodecane blends were measured using the ignition quality tester at KAUST (KR-IQT). The experiments were conducted at pressure of 21 and 18 bar, temperature ranging from 703-843 K and global equivalence ratio of 0.85. A skeletal mechanism for n-dodecane and n-butanol blends with 203 species was developed for numerical simulations. The mechanism was developed by combining n-dodecane skeletal mechanism containing 106 species and a detailed mechanism for all the butanol isomers.

Typical automotive emission testing systems usually employ Flame Ionization Detection (FID) analyzers to measure unburned fuel species in the exhaust, but the technique is not suitable for engines operating on alcohol fuels. The FID method is not sensitive to measuring unburned alcohol fuels due to the presence of oxygen bonds in the fuel molecule. Other techniques, such as Fourier Transform Infrared (FTIR), can provide accurate unburned fuel measurements with alcohol fuel. However, these techniques are expensive and are less accessible compared to FID analyzers. In this study, the unburned fuel emissions from the engine exhaust were measured simultaneously with FID and FTIR analyzers, with the engine operating on pure alcohols, which are methanol, ethanol, and n-butanol. While most previous work focuses on stoichiometric air-fuel mixtures, a wide range of lean operating conditions between global-λ 1.6 to 2.8 will be tested in this study.