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To understand key practical aspects of ammonia as a fuel for internal combustion engines, three-dimensional computational fluid dynamics (CFD) simulations were performed using CONVERGETM. A light-duty single-cylinder research engine with a geometrical compression ratio of 11.5 and a conventional pentroof combustion chamber was experimentally operated at stoichiometry. The fumigated ammonia was introduced at the intake plenum. Upon model validation, additional sensitivity analysis was performed. The combustion was modeled using a detailed chemistry solver (SAGE), and the ammonia oxidation was computed from a 38-specie and 262-reaction chemical reaction mechanism. Three different piston shapes were assessed, and it was found that the near-spark flow field associated with the piston design in combination with the tumble motion promotes faster combustion and yields enhanced engine performance.

The pre-chamber combustion (PCC) concept is a proven lean or diluted combustion technique for internal combustion engines with benefits in engine efficiency and reduced NOx emissions. The engine lean operation limit can be extended by supplying auxiliary fuel into the pre-chamber and thereby, achieving mixture stratification inside the pre-chamber over the main chamber. Introducing liquid fuels into the pre-chambers is challenging owing to the small form factor of the pre-chamber. With a conventional injector, the fuel penetrates in liquid form and impinges on the pre-chamber walls, which leads to increased unburned hydrocarbon emissions from the pre-chamber. In this study, a prototype liquid fuel injector is introduced which preheats the fuel within a heated chamber fitted with an electrical heating element before injecting an effervescently atomized spray into the pre-chamber.

The current work utilizes computational fluid dynamics (CFD) simulations to assess the effects of different piston geometries in an active-type pre-chamber combustion engine fueled with methane. Previous works identified that the interaction of the jets with the main chamber flow and piston wall are key aspects for the local turbulent flame speed and overall burning duration. The combustion process is simulated with the G-equation model for flame propagation combined with the MZ-WSR model to determine the post-flame composition and to predict possible auto-ignition of the reactant mixture. Four setups were considered: two bowl-shaped and one flat piston, and one additional case of the flat piston with jets at wider jet angles to the cylinder axis. The results show that premature jet-wall interaction impacts the main chamber pressure build-up, turbulence, and burn rate.

The pre-chamber combustion can extend the lean limit of internal combustion engines (ICE) and hence increase their overall efficiency. Compared to active pre-chambers equipped with an auxiliary fuel supply system, passive pre-chambers have lower manufacturing costs and require minimal or no design modifications to the conventional spark plug engines. The major challenge of the passive pre-chamber is to extend the lean limit as much as the active pre-chamber. Computational fluid dynamics (CFD) simulations were conducted on a light-duty single-cylinder engine geometry fitted with a passive pre-chamber and using iso-octane as fuel to investigate and optimize the passive pre-chamber fuel enrichment through the pre-chamber nozzles. The non-reacting flow simulations were performed from the intake valve open (IVO) to spark timing.

In modern compression ignition engines, the dense liquid fuel is directly injected into high pressure and temperature atmosphere, so the spray transitions from subcritical to supercritical conditions. To gain better control of the spray-combustion heat release process, it is important to have a physically accurate description of the spray development process. This work explored the effect of real-fluid thermodynamics in the computational prediction of multiphase flow for two non-ideal situations: the cryogenic nitrogen and non-cryogenic n-dodecane and ammonia sprays. Three real-fluid equations of state (EoS) such as the Soave-Redlich-Kwong (SRK), Peng-Robinson (PR), and Redlich-Kwong-Peng-Robinson (RKPR) coupled with the real-fluid Chung transport model were implemented in OpenFoam to predict the real-fluid thermodynamic properties. Validations against the CoolProp database were conducted.

Flame lift-off length (FLOL), ignition delay time (IDT), liquid length (LL), and Soot are essential parameters defining spray combustion characteristics. They help understand the combustion dynamics and validate the spray and combustion models for numerical simulations. However, obtaining extensive data from experiments is costlier and time-consuming. Machine learning (ML) models have advanced to the point where they could create efficient models that could be used as surrogates for experiments. In this study, five different ML algorithms have been trained using the experimental dataset available through the engine combustion network (ECN) community. A novel genetic algorithm-based hyperparameter optimization code has been used to optimize the models to improve prediction accuracy. The model performances were compared, and the better model was chosen as an experimental surrogate to predict FLOL, IDT, LL, and Soot.

Partially premixed combustion (PPC) is an operating mode that lies between the conventional compression ignition (CI) mode and homogeneous charge compression ignition (HCCI) mode. The combustion in this mixed mode is complex as it is neither diffusion-controlled (CI mode) nor governed solely by chemical kinetics (HCCI mode). In this study, CFD simulations were performed to evaluate flame index, which distinguishes between zones having a premixed flame and non-premixed flame. Experiments performed in the optical engine supplied data to validate the model. In order to realize PPC, the start of injection (SOI) was fixed at −40 CAD (aTDC) so that a required ignition delay is created to premix air/fuel mixture. The reference operating point was selected to be with 3 bar IMEP and 1200 rpm. Naphtha with a RON of 77 and its corresponding PRF surrogate were tested. The simulations captured the general trends observed in the experiments well.

The experimental in-cylinder combustion process was compared with the numerical simualtion for naphtha fuel under conventional compression ignition (CI) and partially premixed combustion (PPC) conditions. The start of injection timing (SOI) with the single injection strategy was changed from late of −10 CAD aTDC to early of −40 CAD aTDC. The three-dimensional full cycle engine combustion simulation was performed coupling with gas phase chemical kinetics by the CFD code CONVERGE™. The flame index was used for evaluating the combustion evolution of premixed flame and diffusion flame. The results show that the flame index could be used as an indicator for in-cylinder homogeneity evaluation. Hydroperoxyl shows a similar distribution with the premixed combustion. Formaldehyde could be used as an indicator for low temperature combustion.

Gasoline compression ignition (GCI) engines are becoming more popular alternative for conventional spark engines to harvest the advantage of high volatility. Recent experimental study demonstrated that high reactivity gasoline fuel can be operated in a conventional mixing controlled combustion mode producing lower soot emissions than that of diesel fuel under similar efficiency and NOx level [1]. Therefore, there is much interest in using gasoline-like fuels in compression ignition engines. In order to improve the fidelity of simulation-based GCI combustion system development, it is mandatory to enhance the prediction of spray combustion of gasoline-like fuels. The purpose of this study is to model the spray characteristics of high reactivity gasoline fuels and validate the models with experimental results obtained through an optically accessible constant volume vessel under vaporizing [2] and reactive conditions [3].

Gasoline compression ignition (GCI) engines have been considered an attractive alternative to traditional spark ignition engines. Low octane gasoline fuel has been identified as a viable option for the GCI engine applications due to its longer ignition delay characteristics compared to diesel and in the volatility range of gasoline fuels. In this study, we have investigated the effect of different injection timings at part-load conditions using light naphtha stream in single cylinder engine experiments in the GCI combustion mode with injection pressure of 130 bar. A toluene primary reference fuel (TPRF) was used as a surrogate for the light naphtha in the engine simulations performed here. A physical surrogate based on the evaporation characteristics of the light naphtha has been developed and its properties have been implemented in the engine simulations.