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Modeling combustion of transportation fuels remains a difficult task due to the extremely large number of species constituting commercial gasoline and diesel. However, for this purpose, multi-component surrogate fuel models with a reduced number of key species and dedicated reaction subsets can be used to reproduce the physical and chemical traits of diesel and gasoline, also allowing to perform CFD calculations. Recently, a detailed surrogate fuel kinetic model, named C3 mechanism, was developed by merging high-fidelity sub-mechanisms from different research groups, i.e. C0-C4 chemistry (NUI Galway), linear C6-C7 and iso-octane chemistry (Lawrence Livermore National Laboratory), and monocyclic aromatic hydrocarbons (MAHs) and polycyclic aromatic hydrocarbons (PAHs) (ITV-RWTH Aachen and CRECK modelling Lab-Politecnico di Milano).

The most challenging part of the engine combustion development is the reduction of pollutants (e.g. CO, THC, NOx, soot, etc.) and CO2 emissions. In order to achieve this goal, new combustion techniques are required, which enable a clean and efficient combustion. For compression ignition engines, combustion rate shaping, which manipulates the injected fuel mass to control the in-cylinder pressure trace and the combustion rate itself, turned out to be a promising opportunity. One possibility to enable this technology is the usage of specially developed rate shaping injectors, which can control the injection rate continuously. A feasible solution with series injectors is the usage of multiple injections to control the injection rate and, therefore, the combustion rate. For the control of the combustion profile, a detailed injector model is required for predicting the amount of injected fuel. Simplified 0D models can easily predict single injection rates with low deviation.

On the way to emission-free mobility, future fuels must be CO2 neutral. To achieve this, synthetic fuels are being developed. In order to better assess the effects of the new fuels on the engine process, simulation models are being developed that reproduce the chemical and physical properties of these fuels. In this paper, the fuel DMC+ is examined. DMC+ (a mixture of dimethyl carbonate (DMC) and methyl formate (MeFo) mainly, characterized by the lack of C-C Bonds and high oxygen content) offers advantages with regard to evaporation heat, demand of oxygen and knock resistance. Furthermore, its combustion is almost particle free. With the aid of modern 0D/1D simulation methods, an assessment of the potential of DMC+ can be made. It is shown that the simulative conversion of a state-of-the-art gasoline engine to DMC+ fuel offers advantages in terms of efficiency in many operating points even if the engine design is not altered.

The reduction of cycle-to-cycle variations (CCV) is a prerequisite for the development and control of spark-ignition engines with increased efficiency and reduced engine-out emissions. To this end, Large-Eddy Simulations (LES) can improve the understanding of stochastic in-cylinder phenomena during the engine design process, if the employed modeling approach is sufficiently accurate. In this work, an inhouse code has been used to investigate CCV in a direct-injected spark ignition (DISI) engine under fuel-lean conditions with respect to a stoichiometric baseline operating point. It is shown that the crank angle when a characteristic fuel mass fraction is burned, e.g. MFB50, correlates with the equivalence ratio computed as a local average in the vicinity of the spark plug. The lean operating point exhibits significant CCV, which are shown to be correlated also with the in-cylinder subfilter-scale (SFS) kinetic energy.

Direct injection (DI) of compressed natural gas (CNG) is a promising technology to increase the indicated thermal efficiency of internal combustion engines (ICE) while reducing exhaust emissions and using a relatively low-cost fuel. However, design and analysis of DI-CNG engines are challenging because supersonic gas jet emerging from the DI injector results in a very complex in-cylinder flow field containing shocks and discontinuities affecting the fuel-air mixing. In this article, numerical simulations are used supported by validation to investigate the direct gas injection and its influence on the flow field and mixing in an optically accessible ICE. The simulation approach involves computation of the in-nozzle flow with highly accurate Large-Eddy Simulations, which are then used to obtain a mapped boundary condition. The boundary condition is applied in Unsteady Reynolds Averaged Navier-Stokes simulations of the engine to investigate the in-cylinder velocity and mixing fields.

The performance of Gasoline Direct Injection (GDI) engines is governed by multiple physical processes such as the internal nozzle flow and the mixing of the liquid stream with the gaseous ambient environment. A detailed knowledge of these processes even for complex injectors is very important for improving the design and performance of combustion engines all the way to pollutant formation and emissions. However, many processes are still not completely understood, which is partly caused by their restricted experimental accessibility. Thus, high-fidelity simulations can be helpful to obtain further understanding of GDI injectors. In this work, advanced simulation and experimental methods are combined in order to study the spray characteristics of two different 3-hole GDI injectors.

Direct injection (DI) compressed natural gas (CNG) engines are emerging as a promising technology for highly efficient and low-emission engines. However, the design of DI systems for compressible gas is challenging due to supersonic flows and the occurrence of shocks. An outwardly opening poppet-type valve design is widely used for DI-CNG. The formation of a hollow cone gas jet resulting from this configuration, its subsequent collapse, and mixing is challenging to characterize using experimental methods. Therefore, numerical simulations can be helpful to understand the process and later to develop models for engine simulations. In this article, the results of high-fidelity large-eddy simulation (LES) of a stand-alone injector are discussed to understand the evolution of the hollow cone gas jet better.

Strict NOx and soot emission regulations for Diesel engines have created an interest in low-temperature partially-homogeneous combustion regimes in both the US and Europe. One strategy, Homogeneous-Charge Late-Injection (HCLI) combustion utilizes 55% or more cooled external Exhaust Gas Recirculation (EGR) with a single Direct Injection strategy to control ignition timing. These engines are operated at low temperatures to ensure near zero NOx emissions, implying that fuel in the thermal boundary layers will not reach sufficient temperature to fully oxidize, resulting in Unburnt Hydrocarbon (UHC) and CO emissions. Of particular interest to HCLI engines are the UHC's that are not fully oxidized by the Diesel Oxidation Catalyst (DOC). Experimental measurements reveal that at average equivalence ratios greater than 0.8, methane is the single largest tailpipe-out UHC emission.

A general model framework for investigating various injection strategies in compression ignition engines with both mixture and thermal inhomogeneities is presented using an extended representative interactive flamelet model. The equations describing evolution of chemistry are written for a scalar phase space of either one or two dimensions and an approach for modeling multiple injections is given. The combustion model is solved interactively with the turbulent flow field by coupling with a Reynolds-Averaged Navier-Stokes (RANS) solver. The model is applied in the simulation of a split-injection diesel engine and results are compared to experimental data obtained from a single cylinder research engine.

A reduced kinetic reaction mechanism for the autoignition of dimethyl ether is presented in this paper. Dimethyl ether has proven to be one of the most attractive alternatives to traditional fossil fuels for compression ignition engines. It can either be produced from biomass or from fossil oil. For dimethyl ether, Fischer et al. (Int. J.Chem. Kinet. 32 ( 12 ) (2000) 713-740) proposed a detailed reaction mechanism consisting of 79 species and 351 elementary reactions. In the present work, this detailed mechanism is systematically reduced to 31 species and 49 reactions. The reduced mechanism is discussed in detail with special emphasis on the high temperature thermal decomposition of dimethyl ether and on the fuel specific depleting reactions, which produce the methoxymethyl radical. In addition, a reaction pathway analysis for low temperature combustion is applied, where hydroperoxy-methylformate is found to be the dominating parameter for the low temperature regime.

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.

The performance of modern boosted gasoline engines is limited at high loads by knock, stochastic Low Speed Pre-Ignition as well as megaknock. The main objective of the present work is to develop a predictive combustion model to investigate auto-ignition and megaknock events at high load conditions in gasoline engines. A quasi one-dimensional combustion simulation tool has been developed to model abnormal combustion events in gasoline engines using detailed chemical kinetics and a multi zone wall heat transfer model. The model features six boundary layers representing specific geometrical features such as liner and piston with individual wall temperatures and chemistry to accurately track the individual zone’s thermodynamic properties. The accuracy of the utilized auto-ignition and one-dimensional spark ignition combustion models was demonstrated by validating against experimental data.

Especially for internal combustion engine simulations, various combustion models rely on the laminar burning velocity. With respect to computational time needed for CFD, the calculation of laminar burning velocities using a detailed chemical mechanism can be replaced by incorporation of approximation formulas, based on rate-ratio asymptotics. This study revisits an existing analytical approximation formula [1]. It investigates applicable temperature, pressure, and equivalence ratio ranges with special focus on engine combustion conditions. The fuel chosen here is methane and mixtures are composed of methane and air. The model performance to calculate the laminar burning velocity are compared with calculated laminar burning velocities using existing state of the art detailed chemical mechanisms, the GRI Mech 3.0 [2], the ITV RWTH [3], and the Aramco mechanism [4].

Premixed charge compression ignition (PCCI) is an interesting alternative to conventional diesel combustion, as it allows very low emission levels for part load operation. The difficult control of the onset of combustion is an obstacle to the implementation of PCCI. In a recent study, different mixtures of gasoline and diesel fuel have been used in a modified diesel engine to delay the ignition and thus to allow for a substantial premixing time. For these cases, very low levels of particulate emissions have been reported. However, the emissions of CO and NOx were considerably high. In this study, combustion and pollutant formation in the above-mentioned modified diesel engine are simulated using the representative interactive flamelet (RIF) approach. A detailed chemical reaction mechanism for a mixture of n-heptane, iso-octane, toluene, and ethanol, serving as surrogate fuel for the diesel-gasoline blend, is used for the simulations.

For compliance with legislative regulations as well as restricted resources of fossil fuel, it is essential to further reduce engine-out emissions and increase engine efficiency. As a result of lower peak temperatures and increased homogeneity, premixed Low-Temperature Combustion (LTC) has the potential to simultaneously reduce nitrogen oxides (BSNOx) and soot. However, LTC can lead to higher emissions of unburnt total hydrocarbons (BSTHC) and carbon monoxide (BSCO). Furthermore, losses in efficiency are often observed, due to early combustion phasing (CA50) before top dead center (bTDC). Various studies have shown possibilities to counteract these drawbacks, such as split-injection strategies or different nozzle geometries. In this work, the combination of both is investigated. Three different nozzle geometries with included spray angles of 100°, 120°, and 148° and four injection strategies are applied to investigate the engine performance.

To enable the modeling of modern diesel engines, this work furthers the development of multi-dimensional flamelet models for application to designs that employ multiple injection strategies. First, the flamelet equations are extended to two dimensions following the work of Hasse and Peters [1] and Doran et al. [2] and a method of coupling the resulting equations interactively to a turbulent flow simulation for use in unsteady calculations is described. The external parameters required to solve the flamelet equations are the scalar dissipation rates. In previous studies, the dissipation rates of each mixture fraction have been scaled according to their realizable bounds and the cross-dissipation rate between mixture fractions has been neglected.

If fuels that are more resistant to auto-ignition are injected near TDC in compression ignition engines, they ignite much later than diesel fuel and combustion occurs when the fuel and air have had more chance to mix. This helps to reduce NOX and smoke emissions at much lower injection pressures compared to a diesel fuel. However, PPCI (Partially Premixed Compression Ignition) operation also leads to higher CO and HC at low loads and higher heat release rates at high loads. These problems can be significantly alleviated by managing the mixing through injector design (e.g. nozzle size and centreline spray angle) and changing CR (Compression Ratio). This work describes results of running a single-cylinder diesel engine on fuel blends by using three different nozzle design (nozzle size: 0.13 mm and 0.17 mm, centreline spray angle: 153° and 120°) and two different CRs (15.9:1 and 18:1).

Simultaneous reduction of engine pollutants (e.g., CO, THC, NOx, and soot) is one of the main challenges in the development of new combustion systems. Low-temperature combustion (LTC) concepts in compression ignition (CI) engines like premixed charged compression ignition (PCCI) make use of pre-injections to create a partly homogenous mixture. In the PCCI combustion regime, a direct correlation between injection and pollutant formation is no longer present because of long ignition delay times. In LTC combustion systems, the in-cylinder pressure sensor is normally used to help the combustion control. However, to allow the control of PCCI engines, new sensor concepts are investigated to obtain additional information about the PCCI combustion for advanced controller structures. In LTC combustion systems like gasoline-controlled autoignition (GCAI) concepts, the application of ion current sensors enables additional monitoring of the combustion process with real-time capability.

Homogeneous-Charge Compression Ignition (HCCI) engines have been shown to have higher thermal efficiencies and lower NOx and soot emissions than Spark Ignition engines. However, HCCI engines experience high levels of carbon monoxide (CO) and unburnt hydrocarbon (UHC) emissions. These pollutants are formed in regions of the cylinder where wall heat loss is significant. Improving CO and UHC emissions in HCCI engines requires a fundamental understanding of the heat loss, chemical kinetics, and transport between near wall regions and regions less affected by heat loss. In this study an enthalpy-based flamelet approach is introduced and applied in a simulation of a Rapid Compression Machine operated under HCCI conditions. This approach directly models transport between regions of higher and lower enthalpies. Results are compared to experimental data from Murase and Hanada [6]. The simulations correctly predict ignition timing trends as a function of initial mixture temperature.

The European Commission has released strict emission regulations for passenger cars in the past decade in order to improve air quality in cities and limit harmful emission exposure to humans. In the near future, even stricter regulations containing more realistic/demanding driving scenarios and covering more exhaust gas components are expected to be released. Passenger cars fueled with gasoline are one contributor to unhealthy air conditions, due to the fact that gasoline engines emit harmful air pollutants. One option to minimize harmful emissions would be to utilize specifically tailored, low emission synthetic fuels or fuel blends in internal combustion engines. Methyl formate and dimethyl carbonate are two promising candidates to replace or substitute gasoline, which in previous studies have proven to significantly decrease harmful pollutants.