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Investigating combustion characteristics of oxygenated gasoline and gasoline blended ethanol is a subject of recent interest. The non-linearity in the interaction of fuel components in the oxygenated gasoline can be studied by developing chemical kinetics of relevant surrogate of fewer components. This work proposes a new reduced four-component (isooctane, heptane, toluene, and ethanol) oxygenated gasoline surrogate mechanism consisting of 67 species and 325 reactions, applicable for dynamic CFD applications in engine combustion and sprays. The model introduces the addition of eight C1-C3 species into the previous model (Li et al; 2019) followed by extensive tuning of reaction rate constants of C7 - C8 chemistry. The current mechanism delivers excellent prediction capabilities in comprehensive combustion applications with an improved performance in lean conditions.

In this study, the combustion system of a light-duty compression ignition engine running on a market gasoline fuel with Research Octane Number (RON) of 91 was optimized using computational fluid dynamics (CFD) and Machine Learning (ML). This work was focused on optimizing the piston bowl geometry at two compression ratios (CR) (17 and 18:1) and this exercise was carried out at full-load conditions (20 bar indicated mean effective pressure, IMEP). First, a limited manual piston design optimization was performed for CR 17:1, where a couple of pistons were designed and tested. Thereafter, a CFD design of experiments (DoE) optimization was performed where CAESES, a commercial software tool, was used to automatically perturb key bowl design parameters and CONVERGE software was utilized to perform the CFD simulations. At each compression ratio, 128 piston bowl designs were evaluated.

Fuel stratification effects on the combustion and emissions behaviors for partially premixed compression ignition (PPCI) combustion of a high reactivity gasoline (research octane number of 80) was investigated using the third generation Gasoline Direct-Injection Compression Ignition (Gen3 GDCI) multi-cylinder engine. The PPCI combustion mode was achieved through a double injection strategy. The extent of in-cylinder fuel stratification was tailored by varying the start of second fuel injection timing (SOIsecond) while the first fuel injection event was held constant and occurred during the intake stroke. Based on the experimental results, three combustion characteristic zones were identified in terms of the SOIsecond - CA50 (crank angle at 50% cumulative heat release) relationship: (I) no response zone (HCCI-like combustion); (II) negative CA50 slope zone: (early PPCI mode); and (III) positive CA50 slope zone (late PPCI mode).

A Machine Learning-Genetic Algorithm (ML-GA) approach was developed to virtually discover optimum designs using training data generated from multi-dimensional simulations. Machine learning (ML) presents a pathway to transform complex physical processes that occur in a combustion engine into compact informational processes. In the present work, a total of over 2000 sector-mesh computational fluid dynamics (CFD) simulations of a heavy-duty engine were performed. These were run concurrently on a supercomputer to reduce overall turnaround time. The engine being optimized was run on a low-octane (RON70) gasoline fuel under partially premixed compression ignition (PPCI) mode. A total of nine input parameters were varied, and the CFD simulation cases were generated by randomly sampling points from this nine-dimensional input space. These input parameters included fuel injection strategy, injector design, and various in-cylinder flow and thermodynamic conditions at intake valve closure (IVC).

Cyclic variability in internal combustion engines (ICEs) arises from multiple concurrent sources, many of which remain to be fully understood and controlled. This variability can, in turn, affect the behavior of the engine resulting in undesirable deviations from the expected operating conditions and performance. Shot-to-shot variation during the fuel injection process is strongly suspected of being a source of cyclic variability. This study focuses on the shot-to-shot variability of injector needle motion and its influence on the internal nozzle flow behavior using diesel fuel. High-speed x-ray imaging techniques have been used to extract high-resolution injector geometry images of the sac, orifices, and needle tip that allowed the true dynamics of the needle motion to emerge. These measurements showed high repeatability in the needle lift profile across multiple injection events, while the needle radial displacement was characterized by a much higher degree of randomness.

This research investigates the potential of gasoline compression ignition (GCI) to achieve low engine-out NOx emissions with high fuel efficiency in a heavy-duty diesel engine. The experimental work was conducted in a model year (MY) 2013 Cummins ISX15 heavy-duty diesel engine, covering a load range of 5 to 15 bar BMEP at 1375 rpm. The engine compression ratio (CR) was reduced from the production level of 18.9 to 15.7 without altering the combustion bowl design. In this work, four gasolines with research octane number (RON) ranging from 58 to 93 were studied. Overall, GCI operation resulted in enhanced premixed combustion, improved NOx-soot tradeoffs, and similar or moderately improved fuel efficiency compared to diesel combustion. A split fuel injection strategy was employed for the two lower reactivity gasolines (RON80 and RON93), while the RON60 and RON70 gasolines used a single fuel injection strategy.

The accurate modeling of fuel spray behavior under diesel engine conditions requires well-characterized boundary conditions. Among those conditions, the spray cone angle is important due to its impact on the spray mixing process, flame lift-off locations and subsequent soot formation. The spray cone angle is a highly dynamic variable, but existing correlations have been developed mainly for diesel fuels at quasi-steady state and relatively low injection pressures. The objective of this study was to develop spray cone angle correlations for both diesel and a light-end gasoline fuel over a wide range of diesel-engine operating conditions that are capable of capturing both the transient and quasi-steady state processes. Two important macroscopic characteristics of solid cone sprays, the spray cone angle and spray penetration, were measured using a single-hole heavy-duty injector using two fuels at diesel engine conditions in an optical constant volume vessel.

Toluene primary reference fuel (TPRF) (mixture of toluene, iso-octane and heptane) is a suitable surrogate to represent a wide spectrum of real fuels with varying octane sensitivity. Investigating different surrogates in engine simulations is a prerequisite to identify the best matching mixture. However, running 3D engine simulations using detailed models is currently impossible and reduction of detailed models is essential. This work presents an AramcoMech reduced kinetic model developed at King Abdullah University of Science and Technology (KAUST) for simulating complex TPRF surrogate blends. A semi-decoupling approach was used together with species and reaction lumping to obtain a reduced kinetic model. The model was widely validated against experimental data including shock tube ignition delay times and premixed laminar flame speeds. Finally, the model was utilized to simulate the combustion of a low reactivity gasoline fuel under partially premixed combustion conditions.

A computational fluid dynamics (CFD) guided combustion system optimization was conducted for a heavy-duty compression-ignition engine with a gasoline-like fuel that has an anti-knock index (AKI) of 58. The primary goal was to design an optimized combustion system utilizing the high volatility and low sooting tendency of the fuel for improved fuel efficiency with minimal hardware modifications to the engine. The CFD model predictions were first validated against experimental results generated using the stock engine hardware. A comprehensive design of experiments (DoE) study was performed at different operating conditions on a world-leading supercomputer, MIRA at Argonne National Laboratory, to accelerate the development of an optimized fuel-efficiency focused design while maintaining the engine-out NOx and soot emissions levels of the baseline production engine.

Fuels in the gasoline auto-ignition range (Research Octane Number (RON) > 60) have been demonstrated to be effective alternatives to diesel fuel in compression ignition engines. Such fuels allow more time for mixing with oxygen before combustion starts, owing to longer ignition delay. Moreover, by controlling fuel injection timing, it can be ensured that the in-cylinder mixture is “premixed enough” before combustion occurs to prevent soot formation while remaining “sufficiently inhomogeneous” in order to avoid excessive heat release rates. Gasoline compression ignition (GCI) has the potential to offer diesel-like efficiency at a lower cost and can be achieved with fuels such as low-octane straight run gasoline which require significantly less processing in the refinery compared to today’s fuels.

The current study utilized 3-D computational fluid dynamics (CFD) combustion analysis to guide the development of a viable full load range combustion strategy in a light-duty gasoline compression ignition (GCI) engine. A higher reactivity gasoline that has a research octane number (RON) of 70 was used for the combustion strategy development. The engine has a geometric compression ratio of 14.5 with a piston bowl designed to accommodate different combustion strategies and injector spray patterns. Detailed combustion optimization was focused on 6 and 18 bar gross indicated mean effective pressure (IMEPg) at 1500 rpm through a Design of Experiments approach. Two different strategies were investigated: (a) a late triggering fuel injection with a wide spray angle (combustion strategy #1); and (b) an early triggering fuel injection with a narrow spray angle (combustion strategy #2).

It is well known that in-nozzle flow behavior can significantly influence the near-nozzle spray formation and mixing that in turn affect engine performance and emissions. This in-nozzle flow behavior can, in turn, be significantly influenced by fuel properties. The goal of this study is to characterize the behavior of two different fuels, namely, a straight-run naphtha that has an anti-knock index of 58 (denoted as “Full-Range Naphtha”) and n-dodecane, in a simulated multi-hole common-rail diesel fuel injector. Simulations were carried out using a fully compressible multi-phase flow representation based on the mixture model assumption with the Volume of Fluid method. Our previous studies have shown that the characteristics of internal and near-nozzle flow are strongly related to needle motion in both the along- and off-axis directions.

This research investigates the combustion characteristics and engine performance of a conventional non-ethanol gasoline with a research octane number of 91(RON 91) and a higher reactivity RON80 gasoline under mixing-controlled combustion. The work was conducted in a model year 2013 Cummins ISX15 heavy-duty diesel engine. A split fuel injection strategy was developed to address the long ignition delay and high maximum pressure rise rate for the two gasoline fuels. Using the split fuel injection strategy, steady-state NOx sweeps were conducted at 1375 rpm with a load sweep from 5 to 15 bar BMEP. At 5 and 10 bar BMEP, both gasolines consistently exhibited lower soot levels than ULSD with the reduction more pronounced at 5 bar BMEP. 3-D CFD combustion simulation suggested that the higher volatility and lower viscosity of gasoline fuels can help improve the in-cylinder air utilization and therefore reduce the presence of fuel-rich regions in the combustion chamber.

The 4th Workshop of the Engine Combustion Network (ECN) was held September 5-6, 2015 in Kyoto, Japan. This manuscript presents a summary of the progress in experiments and modeling among ECN contributors leading to a better understanding of soot formation under the ECN “Spray A” configuration and some parametric variants. Relevant published and unpublished work from prior ECN workshops is reviewed. Experiments measuring soot particle size and morphology, soot volume fraction (fv), and transient soot mass have been conducted at various international institutions providing target data for improvements to computational models. Multiple modeling contributions using both the Reynolds Averaged Navier-Stokes (RANS) Equations approach and the Large-Eddy Simulation (LES) approach have been submitted. Among these, various chemical mechanisms, soot models, and turbulence-chemistry interaction (TCI) methodologies have been considered.

The importance of radiative heat transfer on the combustion and soot formation characteristics under nominal ECN Spray A conditions has been studied numerically. The liquid n-dodecane fuel is injected with 1500 bar fuel pressure into the constant volume chamber at different ambient conditions. Radiation from both gas-phase as well as soot particles has been included and assumed as gray. Three different solvers for the radiative transfer equation have been employed: the discrete ordinate method, the spherical-harmonics method and the optically thin assumption. The radiation models have been coupled with the transported probability density function method for turbulent reactive flows and soot, where unresolved turbulent fluctuations in temperature and composition are included and therefore capturing turbulence-chemistry-soot-radiation interactions. Results show that the gas-phase (mostly CO2 ad H2O species) has a higher contribution to the net radiation heat transfer compared to soot.

In internal combustion engine computational fluid dynamics (CFD) simulations, uncertainties arise from various sources, such as estimates of model parameters, experimental boundary conditions, estimates of chemical kinetic rates, etc. These uncertainties propagate through the model and may result in discrepancies compared to experimental measurements. The relative importance of the various sources of uncertainty can be quantified by performing a sensitivity analysis. In this work, global sensitivity analysis (GSA) was applied to engine CFD simulations of a low-temperature combustion concept called gasoline compression ignition, to understand the influence of experimental measurement uncertainties from various sources on specific targets of interest-spray penetration, ignition timing, combustion phasing, combustion duration, and emissions. The sensitivity of these targets was evaluated with respect to imposed uncertainties in experimental boundary conditions and fuel properties.

The primary strength of large eddy simulation (LES) is in directly resolving the instantaneous large-scale flow features which can then be used to study critical flame properties such as ignition, extinction, flame propagation and lift-off. However, validation of the LES results with experimental or direct numerical simulation (DNS) datasets requires the determination of statistically-averaged quantities. This is typically done by performing multiple realizations of LES and performing a statistical averaging among this sample. In this study, LES of n-dodecane spray flame is performed using a well-mixed turbulent combustion model along with a dynamic structure subgrid model. A high-resolution mesh is employed with a cell size of 62.5 microns in the entire spray and combustion regions. The computational cost of each calculation was in the order of 3 weeks on 200 processors with a peak cell count of about 22 million at 1 ms.

Numerical simulations of soot formation were performed for n-dodecane spray using the transported probability density function (TPDF) method. Liquid n-dodecane was injected with 1500 bar fuel pressure into a constant-volume vessel with an ambient temperature, oxygen volume fraction and density of 900 K, 15% and 22.8 kg/m3, respectively. The interaction by exchange with the mean (IEM) model was employed to close the micro-mixing term. The unsteady Reynolds-averaged Navier-Stokes (RANS) equations coupled with the realizable k-ε turbulence model were used to provide turbulence information to the TPDF solver. A 53-species reduced n-dodecane chemical mechanism was employed to evaluate the reaction rates. Soot formation was modelled with an acetylene-based two-equation model which accounts for simultaneous soot particle inception, surface growth, coagulation and oxidation by O2 and OH.

Reynolds-averaged Navier-Stokes (RANS) turbulence model has been used extensively for diesel engine simulations due to its computational efficiency and is expected to remain the workhorse computational fluid dynamics (CFD) tool for industry in the near future. Alternatively, large eddy simulations (LES) can potentially deal with complex flows and cover a large disparity of turbulence length scales, which makes this technique more and more attractive in the engine community. An n-dodecane spray flame (Spray A from Engine Combustion Network) was simulated using a dynamic structure LES model to understand the transient behavior of this turbulent flame. The liquid spray was treated with a traditional Lagrangian method and the gas-phase reaction was closed using a delta probability density function (PDF) combustion model. A 103-species skeletal mechanism was used for n-dodecane chemical kinetic model.

Global Sensitivity Analysis (GSA) is conducted for a diesel engine simulation to understand the sensitivities of various modeling constants and boundary conditions in a global manner with regards to multi-target functions such as liquid length, ignition delays, combustion phasing, and emissions. The traditional local sensitivity analysis approach, which involves sequential perturbation of model constants, does not provide a complete picture since all the parameters can be uncertain. However, this approach has been studied extensively and is advantageous from a computational point of view. The GSA simultaneously incorporates the uncertainty information for all the relevant boundary conditions, modeling constants, and other simulation parameters. A global analysis is particularly useful to address the important parameters in a model where the response of the targets to the values of the variables is highly non-linear.