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Spray modelling plays a key role in engine simulations to understand fuel propagation and mixing, combustion, pollutant formation and energy efficiency. The grid dependency, need of calibration of several spray parameters, complexity associated with validation and high computational demand associated with Spray modelling are addressed with 1-dimentional SprayLet model. This work focuses on enhancing the SprayLet model approach with a dual emphasis on computational efficiency and grid independence for advanced engine simulations. Key spray characteristics, such as vapor and liquid penetration lengths, have been systematically evaluated as they play pivotal roles in understanding fuel evaporation, spray-wall interactions, and mixture formation within engines.

In more or less all aspects of life and in all sectors, there is a generalized global demand to reduce greenhouse gas (GHG) emissions, leading to the tightening and expansion of existing emissions regulations. Currently, non-road engines manufacturers are facing updates such as, among others, US Tier 5 (2028), European Stage V (2019/2020), and China Non-Road Stage IV (in phases between 2023 and 2026). For on-road applications, updates of Euro VII (2025), China VI (2021), and California Low NOx Program (2024) are planned. These new laws demand significant reductions in nitrogen oxides (NOx) and particulate matter (PM) emissions from heavy-duty vehicles. When equipped with an appropriate exhaust aftertreatment system, natural gas engines are a promising technology to meet the new emission standards.

In contrast to the currently primarily used liquid fuels (diesel and gasoline), methane (CH4) as a fuel offers a high potential for a significant reduction of greenhouse gas emissions (GHG). This advantage can only be used if tailpipe CH4 emissions are reduced to a minimum, since the GHG impact of CH4 in the atmosphere is higher than that of carbon dioxide (CO2). Three-way catalysts (TWC - stoichiometric combustion) and methane oxidation catalysts (MOC - lean combustion) can be used for post-engine CH4 oxidation. Both technologies allow for a nearly complete CH4 conversion to CO2 and water at sufficiently high exhaust temperatures (above the light-off temperature of the catalysts). However, CH4 combustion is facing a huge challenge with the planned introduction of Euro VII emissions standard, where stricter CH4 emission limits and a decrease of the cold start starting temperatures are discussed.

Meeting strict current and future emissions legislation necessitates development of computational tools capable of predicting the behaviour of combustion and emissions with an accuracy sufficient to make correct design decisions while keeping computational cost of the simulations amenable for large-scale design space exploration. While detailed kinetics modelling is increasingly seen as a necessity for accurate simulations, the computational cost can be often prohibitive, prompting interest in simplified approaches allowing fast simulation of reduced mechanisms at coarse grid resolutions appropriate for internal combustion engine simulations in design context. In this study we present a simplified Well-stirred Reactor (WSR) implementation coupled with 3D CFD Ricardo VECTIS solver.

The development of future gasoline engines is dominated by the study of new technologies aimed at reducing the engine negative environmental impact and increase its thermal efficiency. One common trend is to develop smaller engines able to operate in stoichiometric conditions across the whole engine map for better efficiency, lower fuel consumption, and optimal conversion rate of the three-way catalyst (TWC). Water injection is one promising technique, as it significantly reduces the engine knock tendency and avoids fuel enrichment for exhaust temperature mitigation at high power operation. With the focus on reducing the carbon footprint of the automotive sector, another vital topic of research is the investigation of new alternative CO2-neutral fuels or so-called eFuels. Several studies have already shown how these new synthetic fuels can be produced by exploiting renewable energy sources and can significantly reduce engine emissions.

Advanced combustion concepts such as reactivity controlled compression ignition (RCCI) have been proven to be capable of fundamentally improve the conventional Diesel combustion by mitigating or avoiding the soot-NOx trade-off, while delivering comparable or better thermal efficiency. To further facilitate the development of the RCCI technology, a robust and possibly computationally efficient simulation framework is needed. While many successful studies have been published using 3D-CFD coupled with detailed combustion chemistry solvers, the maturity level of the 0D/1D based software solution offerings is relatively limited. The close interaction between physical and chemical processes challenges the development of predictive numerical tools, particularly when spatial information is not available.

Gas engines (fuelled with CNG, LNG or Biogas) for generation of power and heat are, to this date, taking up larger shares of the market with respect to diesel engines. In order to meet the limit imposed by the TA-Luft regulations on stationary engines, lean combustion represents a viable solution for achieving lower emissions as well as efficiency levels comparable with diesel engines. Leaner mixtures however affect the combustion stability as the flame propagation velocity and consequently heat release rate are slowed down. As a strategy to deliver higher ignition energy, an active pre-chamber may be used. This work focuses on assessing the performance of a pre-chamber combustion configuration in a stationary heavy-duty engine for power generation, operating at different loads, air-to-fuel ratios and spark timings.

Water injection can be applied to spark ignited gasoline engines to increase the Knock Limit Spark Advance and improve the thermal efficiency. The Knock Limit Spark Advance potential of 6 °CA to 11 °CA is shown by many research groups for EN228 gasoline fuel using experimental and simulation methods. The influence of water is multi-layered since it reduces the in-cylinder temperature by vaporization and higher heat capacity of the fresh gas, it changes the chemical equilibrium in the end gas and increases the ignition delay and decreases the laminar flame speed. The aim of this work is to extend the analysis of water addition to different octane ratings. The simulation method used for the analysis consists of a detailed reaction scheme for gasoline fuels, the Quasi-Dimensional Stochastic Reactor Model and the Detonation Diagram. The detailed reaction scheme is used to create the dual fuel laminar flame speed and combustion chemistry look-up tables.

The use of complex reaction schemes is accompanied by high computational cost in 3D CFD simulations but is particularly important to predict pollutant emissions in internal combustion engine simulations. One solution to tackle this problem is to solve the chemistry prior the CFD run and store the chemistry information in look-up tables. The approach presented combines pre-tabulated progress variable-based source terms for auto-ignition as well as soot and NOx source terms for emission predictions. The method is coupled to the 3D CFD code CONVERGE v2.4 via user-coding and tested over various speed and load passenger-car Diesel engine conditions. This work includes the comparison between the combustion progress variable (CPV) model and the online chemistry solver in CONVERGE 2.4. Both models are compared by means of combustion and emission parameters. A detailed n-decane/α-methyl-naphthalene mechanism, comprising 189 species, is used for both online and tabulated chemistry simulations.

The introduction of a physics-based zero-dimensional stochastic reactor model combined with tabulated chemistry enables the simulation-supported development of future compression-ignited engines. The stochastic reactor model mimics mixture and temperature inhomogeneities induced by turbulence, direct injection and heat transfer. Thus, it is possible to improve the prediction of NOx emissions compared to common mean-value models. To reduce the number of designs to be evaluated during the simulation-based multi-objective optimization, genetic algorithms are proven to be an effective tool. Based on an initial set of designs, the algorithm aims to evolve the designs to find the best parameters for the given constraints and objectives. The extension by response surface models improves the prediction of the best possible Pareto Front, while the time of optimization is kept low.

Partially premixed combustion (PPC) with gasoline fuels is a new promising combustion concept for future internal combustion engines. However, many researchers have argued the capabilities of research octane number (RON) and Motor Octane Number (MON) to describe the autoignition behaviour of gasoline fuels in advanced combustion concepts like PPC. The objective of this study is to propose a new method, called PPC number, to characterize the auto ignition quality of gasoline fuels in a light-duty direct injected compression ignition engine under PPC conditions. The experimental investigations were performed on a 4-cylinder Volvo D4 2 litre engine. The ignition delay which was defined as the crank angle degrees between the start of injection (SOI) and start of combustion (SOC) was used to represent the auto ignition quality of a fuel.

The combustion process in a homogeneous charge compression ignition (HCCI) engine is mainly governed by ignition wave propagation. The in-cylinder pressure, heat release rate, and the emission characteristics are thus largely driven by the chemical kinetics of the fuel. As a result, CFD simulation of such combustion process is very sensitive to the employed reaction mechanism, which model the real chemical kinetics of the fuel. In order to perform engine simulation with a range of operating conditions and cylinder-piston geometry for the design and optimization purpose, it is essential to have a chemical kinetic mechanism that is both accurate and computational inexpensive. In this paper, we report on the evaluation of several chemical kinetic mechanisms for methanol combustion, including large mechanisms and skeletal/reduced mechanisms.

Partially premixed combustion (PPC) is an advanced combustion strategy that has been proposed to provide higher efficiency and lower emissions than conventional compression ignition, as well as greater controllability than homogeneous charge compression ignition (HCCI). Stratification of the fuel-air mixture is the key to achieving these benefits. The injection strategy, injector-piston geometry design and fuel properties are factors commonly manipulated to adjust the stratification level. In the authors’ previous research, the effects of injection strategy and fuel properties on the stratification formation process were investigated. The results revealed that, for a direct-injection compression ignition engine, by sweeping the injection timing from −180° aTDC (after top dead center) to −20° aTDC, the sweep could be divided into three different regimes: an HCCI regime, a Transition regime and a PPC regime, based on the changing of mixture stratification conditions.

Water injection is a promising technology to improve the fuel efficiency of turbocharged gasoline engines due to the possibility to suppress engine knock. Additionally, this technology is believed to enable the efficient operation of the three-way catalyst also at high-load conditions, through limiting the exhaust temperature. In this numerical study, we investigate the effect of water on the chemical and thermodynamic processes using 3D computational fluid dynamics (CFD) Reynolds-averaged Navier–Stokes (RANS) with detailed chemistry. In the first step, the influence of different amounts of water vapor on ignition delay time, laminar flame speed, and heat capacity is investigated. In the second step, the impact of water vaporization is analyzed for port and direct injection. For this purpose, the water mass flow and the injection pressure are varied.

Our previous research investigated the sensitivity of combustion phasing to intake temperature and injection timing during the transition from homogeneous charge compression ignition (HCCI) to partially premixed combustion (PPC) fuelled with generic gasoline. The results directed particular attention to the relationship between intake temperature and combustion phasing which reflected the changing of stratification level with the injection timing. To confirm its applicability with the use of different fuels, and to investigate the effect of fuel properties on stratification formation, primary reference fuels (PRF) were tested using the same method: a start of injection sweep from -180° to -20° after top dead center with constant combustion phasing by tuning the intake temperature. The present results are further developed compared with those of our previous work, which were based on generic gasoline.

Large two-stroke marine Diesel engines have special injector geometries, which differ substantially from the configurations used in most other Diesel engine applications. One of the major differences is that injector orifices are distributed in a highly non-symmetric fashion affecting the spray characteristics. Earlier investigations demonstrated the dependency of the spray morphology on the location of the spray orifice and therefore on the resulting flow conditions at the nozzle tip. Thus, spray structure is directly influenced by the flow formation within the orifice. Following recent Large Eddy Simulation resolved spray primary breakup studies, the present paper focuses on spray secondary breakup modelling of asymmetric spray structures in Euler-Lagrangian framework based on previously obtained droplet distributions of primary breakup.

Methanol as an alternative fuel in internal combustion engines has an advantage in decreasing emissions of greenhouse gases and soot. Hence, developing of a high performance internal combustion engine operating with methanol has attracted the attention in industry and academic research community. This paper presents a numerical study of methanol combustion at different start-of-injection (SOI) in a direct injection compression ignition (DICI) engine supported by experimental studies. The aim is to investigate the combustion behavior of methanol with single and double injection at close to top-dead-center (TDC) conditions. The experimental engine is a modified version of a heavy duty D13 Scania engine. URANS simulations are performed for various injection timings with delayed SOI towards TDC, aiming at analyzing the characteristics of partially premixed combustion (PPC).

Today numerical models are a major part of the diesel engine development. They are applied during several stages of the development process to perform extensive parameter studies and to investigate flow and combustion phenomena in detail. The models are divided by complexity and computational costs since one has to decide what the best choice for the task is. 0D models are suitable for problems with large parameter spaces and multiple operating points, e.g. engine map simulation and parameter sweeps. Therefore, it is necessary to incorporate physical models to improve the predictive capability of these models. This work focuses on turbulence and mixing modeling within a 0D direct injection stochastic reactor model. The model is based on a probability density function approach and incorporates submodels for direct fuel injection, vaporization, heat transfer, turbulent mixing and detailed chemistry.

A novel 0-D Probability Density Function (PDF) based approach for the modelling of Diesel combustion using tabulated chemistry is presented. The Direct Injection Stochastic Reactor Model (DI-SRM) by Pasternak et al. has been extended with a progress variable based framework allowing the use of a pre-calculated auto-ignition table. Auto-ignition is tabulated through adiabatic constant pressure reactor calculations. The tabulated chemistry based implementation has been assessed against the previously presented DI-SRM version by Pasternak et al. where chemical reactions are solved online. The chemical mechanism used in this work for both, online chemistry run and table generation, is an extended version of the scheme presented by Nawdial et al. The main fuel species are n-decane, α-methylnaphthalene and methyl-decanoate giving a size of 463 species and 7600 reactions.

The three-way catalytic converter (TWC) is the most common catalyst for gasoline engine exhaust gas after treatment. The reduction of carbon monoxide (CO), nitrogen oxides (NOx) and unburned hydrocarbons (HC) is achieved via oxidation of carbon monoxide and hydrocarbons, and reduction of nitrogen oxides. These conversion effects were simulated in previous works using single-channel approaches and detailed kinetic models. In addition to the single-channel model multiple representative catalyst channels are used in this work to take heat transfer between the channels into account. Furthermore, inlet temperature distribution is considered. Each channel is split into a user given number of cells and each cell is treated like a perfectly stirred reactor (PSR). The simulation is validated against an experimental four-stroke engine setup with emission outputs fed into a TWC.