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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.

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 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.

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.

Physics-based models in a closed-loop feedback control of a premixed charge compression ignition (PCCI) engine can improve the combustion efficiency and potentially reduce harmful NOx and soot emissions. A stand-alone multi-zone combustion model has been proposed in the literature using a physics-based mixing approach. The scalar dissipation rate emerged as the determining parameter in the model for mixing among different zones in the mixture fraction space. However, the calculation of the scalar dissipation rate depends on three approaches: three-dimensional computational fluid dynamics (3-D CFD) combustion simulations based on representative interactive flamelet (RIF) model, tabulation, or an empirical algebraic model of the scalar dissipation rate fitted for the given operating conditions of the engine. While the 3-D CFD approach provides accurate results, it is computationally too expensive to use the multi-zone model in closed-loop control.

Renewable fuels, such as bio- and e-fuels, are of great interest for the defossilization of the transport sector. Among these fuels, methanol represents a promising candidate for emission reduction and efficiency increase due to its very high knock resistance and its production pathway as e-fuel. In general, reliable simulation tools are mandatory for evaluating a specific fuel potential and optimizing combustion systems. In this work, a previously presented methodology (Esposito et al., Energies, 2020) has been refined and applied to a different engine and different fuels. Experimental data measured with a single cylinder engine (SCE) are used to validate RANS 3D-CFD simulations of gaseous engine-out emissions. The RANS 3D-CFD model has been used for operation with a toluene reference fuel (TRF) gasoline surrogate and methanol. Varying operating conditions with exhaust gas recirculation (EGR) and air dilution are considered for the two fuels.