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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.

The transition towards sustainable mobility encourages research into biofuels for use in internal combustion engines. For these alternative energy carriers, high-fidelity experimental data of flame speeds influenced by pressure, temperature, and air-fuel equivalence ratio under engine-relevant conditions are required to support the development of robust combustion models for spark-ignition engines. E.g., physicochemical-based approximation formulas adjusted to the fuel provide similar accuracy as high fidelity chemical kinetic model calculations at a fraction of the computational cost and can be easily adopted in engine simulation codes. In the present study, a workflow to enable predictive combustion engine modeling is applied first for a gasoline reference fuel and two biofuel blends recently proposed by Dahmen and Marquardt [Energy Fuels, 2017].

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.

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 increasingly stringent limits on pollutant emissions from internal combustion engine-powered vehicles require the optimization of advanced combustion systems by means of virtual development and simulation tools. Among the gaseous emissions from spark-ignition engines, the unburned hydrocarbon (HC) emissions are the most challenging species to simulate because of the complexity of the multiple physical and chemical mechanisms that contribute to their emission. These mechanisms are mainly three-dimensional (3D) resulting from multi-phase physics - e.g., fuel injection, oil-film layer, etc. - and are difficult to predict even in complex 3D computational fluid-dynamic (CFD) simulations. Phenomenological models describing the relationships between the physical-chemical phenomena are of great interest for the modeling and simplification of such complex mechanisms.

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 laminar burning velocity is an important parameter in various combustion models for engine simulations. With respect to computational time for computational fluid dynamics (CFD) and full system engine simulations, the calculation of laminar burning velocities using a detailed chemical mechanism can be replaced by incorporation of approximation formulas, based on rate-ratio asymptotics. In the present study, a work flow is developed to analyze the engine efficiency performance of spark ignition engines with respect to the laminar burning velocity as a fundamental fuel property. Firstly, methane is used as a fuel to assess practicability of the approach. The procedure is subsequently adopted for market type gasoline surrogates, RON95 and RON100. Detailed chemistry calculations are carried out for the three target fuels using existing state of the art mechanisms, the Aramco [Zhou et al., Proc. Combust. Inst., pp. 403-411, 2017] and the ITV RWTH mechanism [Cai et al., Combust.

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.

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.

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].

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.

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.

Ethanol currently remains the leading biofuel in the transportation sector, with special focus on spark ignition engines, as a pure as well as a blend component. In order to provide reliable numerical simulations of gasoline combustion processes under the influence of ethanol for modern engine research, it is mandatory to develop well validated detailed kinetic combustion models. One key parameter for the numerical simulation is the laminar burning velocity. Under the aspect of minimizing the general simulation effort for burning velocities, well-validated models have to be reduced. As a base kinetic mechanism for the reduction and optimisation process with respect to burning velocity calculations, a detailed model presented by Zhao et al. (Int. J. Chem. Kin. 40 (1) (2007) 1-18) is chosen. The model has been extensively validated against shock tube, rapid compression machine and burning velocity data. The detailed model consists of 55 species and 290 reactions.

2-Butanone (C4H8O) is a promising alternative fuel candidate as a pure as well as a blend component for substitution in standard gasoline fuels. It can be produced by the dehydrogenation of 2-butanol. To describe 2-butanone's basic combustion behaviour, it is important to investigate key physical properties such as the laminar burning velocity. The laminar burning velocity serves on the one hand side as a parameter to validate detailed chemical kinetic models. On the other hand, especially for engine simulations, various combustion models have been introduced, which rely on the laminar burning velocity as the physical quantity describing the progress of chemical reactions, diffusion, and heat conduction. Hence, well validated models for the prediction of laminar burning velocities are needed. New experimental laminar burning velocity data, acquired in a high pressure spherical combustion vessel, are presented for 1 atm and 5 bar at temperatures of 373 K and 423 K.

Compared to conventional injection techniques, Gasoline Direct Injection (GDI) has a lot of advantages such as increased fuel efficiency, high power output and low emission levels, which can be more accurately controlled. Therefore, this technique is an important topic of today's injection system research. Although the operating conditions of GDI injectors are simpler from a numerical point of view because of smaller Reynolds and Weber numbers compared to Diesel injection systems, accurate simulations of the breakup in the vicinity of the nozzle are very challenging. Combined with the complications of experimental techniques that could be applied inside the nozzle and at the nozzle exit, this is the reason for the lack of understanding the primary breakup behavior of current GDI injectors.

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).

Selective Catalytic Reduction (SCR) catalysts used in Lean NOx Trap (LNT) - SCR exhaust aftertreatment systems typically encounter alternating oxidizing and reducing environments. Reducing conditions occur when diesel fuel is injected upstream of a reformer catalyst, generating high concentrations of hydrogen (H₂), carbon monoxide (CO), and hydrocarbons to deNOx the LNT. In this study, the functionality of an iron (Fe) zeolite SCR catalyst is explored with a bench top reactor during steady-state and cyclic transient SCR operation. Experiments to characterize the effect of an LNT deNOx event on SCR operation show that adding H₂ or CO only slightly changes SCR behavior with the primary contribution being an enhancement of nitrogen dioxide (NO₂) decomposition into nitric oxide (NO). Exposure of the catalyst to C₃H₆ (a surrogate for an actual exhaust HC mixture) leads to a significant decrease in NOx reduction capabilities of the catalyst.

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.

Premixed low temperature combustion (LTC) in diesel engines simultaneously reduces soot and NOx at the expense of increased hydrocarbon (HC) and CO emissions. The use of biodiesel in the LTC regime has been shown to produce lower HC emissions than petroleum diesel; however, unburned methyl esters from biodiesel are more susceptible to particulate matter (PM) formation following atmospheric dilution due to their low volatility. In this study, the efficacy of a production-type diesel oxidation catalyst (DOC) for the conversion of light hydrocarbons species and heavier, semi-volatile species like those in unburned fuel is examined. Experimental data were taken from a high speed direct-injection diesel engine operating in a mid-load, late injection partially premixed LTC mode on ultra-low sulfur diesel (ULSD) and neat soy-based biodiesel (B100). Gaseous emissions were recorded using a conventional suite of analyzers and individual light HCs were measured using an FT-IR analyzer.

Homogeneous charge compression ignition (HCCI) has received much attention in recent years due to its ability to reduce both fuel consumption and NO emissions compared to normal spark-ignited (SI) combustion. However, due to the limited operating range of HCCI, production feasible engines will need to employ a combination of combustion strategies, such as stoichiometric SI combustion at high loads and leaner burn spark-assisted compression ignition (SACI) and HCCI at intermediate and low loads. The goal of this study was to extend the high load limit of HCCI into the SACI region while maintaining a stoichiometric equivalence ratio. Experiments were conducted on a single-cylinder research engine with fully flexible valve actuation. In-cylinder pressure rise rates and combustion stability were controlled using cooled external EGR, spark assist, and negative valve overlap. Several engine loads within the SACI regime were investigated.