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A comprehensive biodiesel combustion model is presented for use in multi-dimensional engine simulations. The model incorporates realistic physical properties in a vaporization model developed for multi-component fuel sprays and applies an improved mechanism for biodiesel combustion chemistry. Previously, a detailed mechanism for methyl decanoate and methyl-9-decenoate was reduced from 3299 species to 85 species to represent the components of biodiesel fuel. In this work, a second reduction was performed to further reduce the mechanism to 69 species. Steady and unsteady spray simulations confirmed that the model adequately reproduced liquid penetration observed in biodiesel spray experiments. Additionally, the new model was able to capture expected fuel composition effects with low-volatility components and fuel blend sprays penetrating further.

In a recent study, quantitative measurements were presented of in-cylinder spatial distributions of mixture equivalence ratio in a single-cylinder light-duty optical diesel engine, operated with a non-reactive mixture at conditions similar to an early injection low-temperature combustion mode. In the experiments a planar laser-induced fluorescence (PLIF) methodology was used to obtain local mixture equivalence ratio values based on a diesel fuel surrogate (75% n-heptane, 25% iso-octane), with a small fraction of toluene as fluorescing tracer (0.5% by mass). Significant changes in the mixture's structure and composition at the walls were observed due to increased charge motion at high swirl and injection pressure levels. This suggested a non-negligible impact on wall heat transfer and, ultimately, on efficiency and engine-out emissions.

The 4th Workshop of the Engine Combustion Network (ECN) was held September 5-6, 2015 in Kyoto, Japan. This manuscript presents a summary of the progress in experiments and modeling among ECN contributors leading to a better understanding of soot formation under the ECN “Spray A” configuration and some parametric variants. Relevant published and unpublished work from prior ECN workshops is reviewed. Experiments measuring soot particle size and morphology, soot volume fraction (fv), and transient soot mass have been conducted at various international institutions providing target data for improvements to computational models. Multiple modeling contributions using both the Reynolds Averaged Navier-Stokes (RANS) Equations approach and the Large-Eddy Simulation (LES) approach have been submitted. Among these, various chemical mechanisms, soot models, and turbulence-chemistry interaction (TCI) methodologies have been considered.

Experiments were performed on a single-cylinder heavy-duty Caterpillar SCOTE 3401E engine at high speed (1737 rev/min) and loads up to 60% of full load for fully Premixed Charge Compression Ignition (PCCI) combustion. The engine was equipped with a high pressure (150 MPa) Caterpillar 300B HEUI fuel injection system. The engine was run with EGR levels up to 75% and with equivalence ratios up to 0.95. These experiments resulted in compliance of NOx and PM emissions to 2010 emissions mandates levels up to the tested load. The set of experiments also demonstrated the importance of cylinder charge preparation by way of optimized start-of-combustion timing for sufficient in-cylinder mixing. It was found that increased EGR rates, even with the correspondingly increased equivalence ratios, increase mixing time and substantially decrease PM emissions.

A transport equation residual model incorporating refined G-equation and detailed chemical kinetics combustion models has been developed and implemented in the ERC KIVA-3V release2 code for Gasoline Direct Injection (GDI) engine simulations for better predictions of flame propagation. In the transport equation residual model a fictitious species concept is introduced to account for the residual gases in the cylinder, which have a great effect on the laminar flame speed. The residual gases include CO2, H2O and N2 remaining from the previous engine cycle or introduced using EGR. This pseudo species is described by a transport equation. The transport equation residual model differentiates between CO2 and H2O from the previous engine cycle or EGR and that which is from the combustion products of the current engine cycle.

The simulation of combustion chemistry in internal combustion engines is challenging due to the need to include detailed reaction mechanisms to describe the engine physics. Computational times needed for coupling full chemistry to CFD simulations are still too computationally demanding, even when distributed computer systems are exploited. For these reasons the present paper proposes a time scale separation approach for the integration of the chemistry differential equations and applies it in an engine CFD code. The time scale separation is achieved through the estimation of a characteristic time for each of the species and the introduction of a sampling timestep, wherein the chemistry is subcycled during the overall integration. This allows explicit integration of the system to be carried out, and the step size is governed by tolerance requirements.

This study investigates the potential of controlling premixed charge compression ignition (PCCI) combustion strategies by varying fuel reactivity. In-cylinder fuel blending using port fuel injection of gasoline and early cycle, direct-injection of diesel fuel was used for combustion phasing control at a medium engine load of 9 bar net IMEP and was also found to be effective to prevent excessive rates of pressure rise. Parameters used in the experiments were guided from the KIVA-CHEMKIN code with a reduced primary reference fuel (PRF) mechanism including injection timings, fuel percentages, and intake valve closing (IVC) timings for dual-fuel PCCI combustion. The engine experiments were conducted with a conventional common rail injector (i.e., wide angle and large nozzle hole) and demonstrated control and versatility of dual-fuel PCCI combustion with the proper fuel blend, SOI and IVC timings.

Large Eddy Simulations (LES) provide instantaneous values indispensable to conduct statistical studies of relevant fluctuating quantities for diesel sprays. However, numerous realizations are generally necessary for LES to derive statistically averaged quantities necessary for validation of the numerical framework by means of measurements and for conducting sensitivity studies, leading to extremely high computational efforts. In this context, the aim of this work is to explore and validate alternatives to the simulation of 20-50 single realizations at considerably lower computational costs, by taking advantage of the axisymmetric geometry and the Quasi-Steady-State (QSS) condition of the near nozzle flow at a certain time after start-of-injection (SOI).

Engine development is both time consuming and economically straining. Therefore, efforts are being made to optimize the research and development process for new engine technologies. The ability to apply information gained by studying an engine of one size/application to an engine of a completely different size/application would offer savings in both time and money in engine development. In this work, a computational study of diesel engine size-scaling relationships was performed to explore engine scaling parameters and the fundamental engine operating components that should be included in valid scaling arguments. Two scaling arguments were derived and tested: a simple, equal spray penetration scaling model and an extended, equal lift-off length scaling model. The simple scaling model is based on an equation for the conservation of mass and an equation for spray tip penetration developed by Hiroyasu et al. [1].

RNG k-ε closure turbulence dissipation equations are evaluated employing the CFD code KIVA-3V Release 2. The numerical evaluations start by considering simple jet flows, including incompressible air jets and compressible helium jets. The results show that the RNG closure turbulence model predicts lower jet tip penetration than the "standard" k-ε model, as well as being lower than experimental data. The reason is found to be that the turbulence kinetic energy is dissipated too slowly in the downstream region near the jet nozzle exit. In this case, the over-predicted R term in RNG model becomes a sink of dissipation in the ε-equation. As a second step, the RNG turbulence closure dissipation models are further tested in complex engine flows to compare against the measured evolution of turbulence kinetic energy, and an estimate of its dissipation rate, during both the compression and expansion processes.

Biodiesel-fueled engine simulations were performed using the KIVA3v-Release 2 code coupled with Chemkin-II for detailed chemistry. The model incorporates a reduced mechanism that was created from a methyl decanoate/methyl-9-decenoate mechanism developed at the Lawrence Livermore National Laboratory. A combination of Directed Relation Graph, chemical lumping, and limited reaction rate tuning was used to reduce the detailed mechanism from 3299 species and 10806 reactions to 77 species and 209 reactions. The mechanism was validated against its detailed counterpart and predicted accurate ignition delay times over a range of relevant operating conditions. The mechanism was then combined with the ERC PRF mechanism to include n-heptane as an additional fuel component. The biodiesel mechanism was applied in KIVA using a discrete multi-component model with accurate physical properties for the five common components of real biodiesel fuel.

In the present study a reduced chemical reaction mechanism for biodiesel surrogate fuel was developed and validated for multi-dimensional engine combustion simulations. An existing detailed methyl butanoate mechanism that contained 264 species and 1219 reactions was chosen to represent the oxygenated portion of the fuel. The reduction process included flux analysis, ignition sensitivity analysis, and optimization of reaction rate constants under constant volume conditions. The current reduced mechanism consists of 41 species and 150 reactions and gives predictions in excellent agreement with those of the comprehensive mechanism. In order to validate the mechanism under biodiesel-fueled engine conditions, it was combined with another skeletal mechanism for n-heptane oxidation. This combined reaction mechanism can be used to adjust the energy content of the fuel, and account for diesel/biodiesel blend engine simulations.

The focus of the present study was to characterize the fuel reactivity of high octane number fuels (i.e., low fuel reactivity), namely gasoline, ethanol, and methanol when mixed with cetane improvers under lean, premixed combustion conditions. Two commercially available cetane improvers, 2-ethylhexyl nitrate and di-tert-butyl peroxide, were used in the study. First, blends of the primary reference fuels iso-octane and n-heptane were port injected under fixed operating conditions. The resulting combustion phasings were used to generate effective PRF number maps. Then, blends of the aforementioned base fuels and cetane improvers were tested under the same lean premixed conditions as the PRF blends. Based on the combustion phasing results of the base fuel and cetane improver mixture, the effective PRF number, or octane number, could be determined.

A single-cylinder light-duty diesel engine was used to investigate dual fuel reactivity controlled compression ignition (RCCI) operated with two different fuel combinations: gasoline/diesel fuel and methanol/diesel fuel. The engine was operated over a range of conditions, from 1500 to 2300 rpm and 3.5 to 17 bar gross IMEP. Using the stock re-entrant piston bowl geometry, both fuel combinations were able to achieve low NOx and PM emissions with a peak gross indicated efficiency of 48%. However, at light load conditions both gasoline and methanol yielded poorer combustion efficiencies. Previous studies have shown that the high-levels of piston induced mixing that are created by the stock piston are not required, and in fact are detrimental due to increased heat transfer losses, for premixed combustion. Thus a modified piston featuring a shallow, flat piston bowl with nearly no squish land was also investigated.

This research explored methods to reduce regulated emissions in a small-bore, direct-injection diesel engine. Swirl was used to influence mixing of the spray plumes, and alternative fuels were used to study the effects of oxygenated and water microemulsion diesel fuels on emissions. Air/fuel mixing enhancement was achieved in the running engine by blocking off a percentage of one of the two intake ports. The swirl was characterized at steady-state conditions with a flowbench and swirl meter. Swirl ratios of 1.85, 2.70, and 3.29 were studied in the engine tests at full load with engine speeds of 1303, 1757, and 1906 rev/min. Increased swirl was shown to have negative effects on emissions due to plume-to-plume interactions. Blends of No. 2 diesel and biodiesel were used to investigate the presence of oxygen in the fuel and its effects on regulated emissions. Pure No. 2 diesel fuel, a 15% and a 30% biodiesel blend (by weight) were used.

Studies on the effects of methyl soyate (biodiesel) blends with #2 diesel fuel in conjunction with various high pressure injection schemes were conducted on a single cylinder version of the Caterpillar 3400 series heavy duty diesel engine. Engine operating conditions at both high and low loads were investigated. Experiments were performed over a range of injection timings allowing particulate versus NOx trade-off curves to be generated. Phillips 66 certified #2 diesel fuel was used as the baseline; mixtures of 20% and 40% by volume of methyl soyate with the baseline fuel were used as the biodiesel blends. A blend of 20% by volume octadecene (a hydrocarbon fuel that is representative of the biodiesel hydrocarbon's composition but without the oxygen) in #2 diesel fuel was also investigated to help determine the mechanisms of emissions reduction.

Reactivity Controlled Compression Ignition (RCCI) is an engine combustion strategy that utilizes in-cylinder fuel blending to produce low NOx and PM emissions while maintaining high thermal efficiency. Previous RCCI research has been investigated in single-cylinder heavy-duty engines [1, 2, 3, 4, 5, 6]. The current study investigates RCCI operation in a light-duty multi-cylinder engine over a wide number of operating points representing vehicle operation over the US EPA FTP test. Similarly, previous RCCI engine experiments have used petroleum based fuels such as ultra-low sulfur diesel fuel (ULSD) and gasoline, with some work done using high percentages of biofuels, namely E85 [7]. The current study was conducted to examine RCCI performance with moderate biofuel blends, such as E20 and B20, as compared to conventional gasoline and ULSD.

A computational study using multi-dimensional CFD modeling was performed to investigate the effects of physical properties on diesel engine combustion characteristics with bio-diesel fuels. Properties of typical bio-diesel fuels that were either calculated or measured are used in the study and the simulation results are compared with those of conventional diesel fuels. The sensitivity of the computational results to individual physical properties is also investigated, and the results provide information about the desirable characteristics of the blended fuels. The properties considered in the study include liquid density, vapor pressure, surface tension, liquid viscosity, liquid thermal conductivity, liquid specific heat, latent heat, vapor specific heat, vapor diffusion coefficient, vapor viscosity and vapor thermal conductivity. The results show significant effects of the fuel physical properties on ignition delay and burning rates at various engine operating conditions.

The effects of numerical methodology in defining the initial conditions and simulating the compression stroke in D.I. diesel engine CFD computations are studied. Lumped and pointwise approaches were adopted in assigning the initial conditions at IVC. The lumped approach was coupled with a two-dimensional calculation of the compression stroke. The pointwise methodology was based on the results of an unsteady calculation of the intake stroke performed by using the STAR-CD code in the realistic engine and port geometry. Full engine and 60 deg. sector meshes were used in the compression stroke calculations in order to check the accuracy of the commonly applied axi-symmetric fluid dynamics assumption. Analysis of the evolution of the main fluid dynamics parameters revealed that local conditions at the time of injection strongly depend on the numerical procedure adopted.

An emissions and performance study was performed to show the effects of injection pressure, nozzle hole inlet condition (sharp and rounded edge) and nozzle included spray angle on particulate, NOx, and BSFC. The tests were conducted on a fully instrumented single-cylinder version of the Caterpillar 3406 heavy duty engine at 75% and 25% load at 1600 RPM. The fuel system consisted of an electronically controlled, hydraulically actuated, unit injector capable of injection pressures up to 160 MPa. Particulate versus NOx trade-off curves were generated for each case by varying the injection timing. The 75% load results showed the expected decrease in particulate and flattening of the trade-off curve with increased injection pressure. However, in going from 90 to 160 MPa, the timing had to be retarded to maintain the same NOx level, and this resulted in a 1 to 2% increase in BSFC. The rounded edged nozzles were found to have an increased discharge coefficient.