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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.

An investigation of high speed direct injection (DI) compression ignition (CI) engine combustion fueled with gasoline injected using a triple-pulse strategy in the low temperature combustion (LTC) regime is presented. This work aims to extend the operation ranges for a light-duty diesel engine, operating on gasoline, that have been identified in previous work via extended controllability of the injection process. The single-cylinder engine (SCE) was operated at full load (16 bar IMEP, 2500 rev/min) and computational simulations of the in-cylinder processes were performed using a multi-dimensional CFD code, KIVA-ERC-Chemkin, that features improved sub-models and the Chemkin library. The oxidation chemistry of the fuel was calculated using a reduced mechanism for primary reference fuel combustion chosen to match ignition characteristics of the gasoline fuel used for the SCE experiments.

In a recent experimental study the in-cylinder spatial distribution of mixture equivalence ratio was quantified under non-combusting conditions by planar laser-induced fluorescence (PLIF) of a fuel tracer (toluene). The measurements were made in a single-cylinder, direct-injection, light-duty diesel engine at conditions matched to an early-injection low-temperature combustion mode. A fuel amount corresponding to a low load (3.0 bar indicated mean effective pressure) operating condition was introduced with a single injection at -23.6° ATDC. The data were acquired during the mixture preparation period from near the start of injection (-22.5° ATDC) until the crank angle where the start of high-temperature heat release normally occurs (-5° ATDC). In the present study the measured in-cylinder images are compared with a fully resolved three-dimensional CFD model, namely KIVA3V-RANS simulations.

Reactivity Controlled Compression Ignition (RCCI) is an engine combustion strategy that produces low NO and PM emissions with high thermal efficiency. Previous RCCI research has been investigated in single-cylinder heavy-duty engines. The current study investigates RCCI operation in a light-duty multi-cylinder engine at 3 operating points. These operating points were chosen to cover a range of conditions seen in the US EPA light-duty FTP test. The operating points were chosen by the Ad Hoc working group to simulate operation in the FTP test. The fueling strategy for the engine experiments consisted of in-cylinder fuel blending using port fuel-injection (PFI) of gasoline and early-cycle, direct-injection (DI) of diesel fuel. At these 3 points, the stock engine configuration is compared to operation with both the original equipment manufacturer (OEM) and custom-machined pistons designed for RCCI operation.

Manufacturers of heavy-duty diesel engines are facing increasingly stringent, emission standards. These standards have motivated new research efforts towards improving the performance of diesel engines. The objective of the present program is to develop a comprehensive analytical model of the diesel combustion process that can be used to explore the influence of design changes. This will enable industry to predict the effect of these changes on engine performance and emissions. A major benefit of the successful implementation of such models is that engine development time and costs would be reduced through their use. The computer model is based on the three-dimensional KIVA-II code, with state-of-the-art submodels for spray atomization, drop breakup / coalescence, multi-component fuel vaporization, spray/wall interaction, ignition and combustion, wall heat transfer, unburned HC and NOx formation, and soot and radiation.

Real transportation fuels, such as gasoline and diesel, are mixtures of thousands of different hydrocarbons. For multidimensional engine applications, numerical simulations of combustion of real fuels with all of the hydrocarbon species included exceeds present computational capabilities. Consequently, surrogate fuel models are normally utilized. A good surrogate fuel model should approximate the essential physical and chemical properties of the real fuel. In this work, we present a novel methodology for the formulation of surrogate fuel models based on local optimization and sensitivity analysis technologies. Within the proposed approach, several important fuel properties are considered. Under the physical properties, we focus on volatility, density, lower heating value (LHV), and viscosity, while the chemical properties relate to the chemical composition, hydrogen to carbon (H/C) ratio, and ignition behavior. An error tolerance is assigned to each property for convergence checking.

In this paper, we studied the accuracy of computational modeling of the ignition of a pilot injectionin the Sandia National Laboratories (SNL) light-duty optical engine facility, using the physical properties of a cetane/iso-cetane Diesel Primary Reference Fuel (DPRF) mixture and the reaction kinetics of a well-validated mechanism for primary reference fuels. Local fuel-air equivalence ratio measurements from fuel tracer based planar laser-induced fluorescence (PLIF) experiments were used to compare the mixture formation predictions with KIVA-ERC-based simulations. The effects of variations in injection mass from 1 mg to 4 mg, in-cylinder swirl ratio, and near-TDC temperatures on non-combusting mixture preparation were analyzed, to assess the accuracy of the model in capturing average jet behavior, despite its inability to model the non-negligible jet-by-jet variations seen in the experiments.

In multidimensional modeling, fuels have been represented predominantly by single components, such as octane for gasoline. Several bicomponent studies have been performed, but these are still limited in their ability to represent real fuels, which are blends of as many as 300 components. This study outlines a method by which the fuel composition is represented by a distribution function of the fuel molecular weight. This allows a much wider range of compositions to be modeled, and only requires including two additional “species” besides the fuel, namely the mean and second moment of the distribution. This approach has been previously presented but is applied here to multidimensional calculations. Results are presented for single component droplet vaporization for comparison with single component fuel predictions, as well as results for a multicomponent gasoline and a diesel droplet.

In this study we identify components of a typical biodiesel fuel and estimate both their individual and mixed thermo-physical and transport properties. We then use the estimated mixture properties in computational simulations to gauge the extent to which combustion is modified when biodiesel is substituted for conventional diesel fuel. Our simulation studies included both conventional diesel combustion (DI) and premixed charge compression ignition (PCCI). Preliminary results indicate that biodiesel ignition is significantly delayed due to slower liquid evaporation, with the effects being more pronounced for DI than PCCI. The lower vapor pressure and higher liquid heat capacity of biodiesel are two key contributors to this slower rate of evaporation. Other physical properties are more similar between the two fuels, and their impacts are not clearly evident in the present study.

The influence of the constant C3, which multiplies the mean flow divergence term in the model equation for the turbulent kinetic energy dissipation, is examined in a motored diesel engine for three different swirl ratios and three different spatial locations. Predicted temporal histories of turbulence energy and its dissipation are compared with experimentally-derived estimates. A “best-fit” value of C3 = 1.75, with an approximate uncertainty of ±0.3 is found to minimize the error between the model predictions and the experiments. Using this best-fit value, model length scale behavior corresponds well with that of measured velocity-correlation integral scales during compression. During expansion, the model scale grows too rapidly. Restriction of the model assessment to the expansion stroke suggests that C3 = 0.9 is more appropriate during this period.

A computational study was performed to evaluate the effects of bowl geometry, fuel spray targeting and swirl ratio under highly diluted, low-temperature combustion conditions in a heavy-duty diesel engine. This study is used to examine aspects of low-temperature combustion that are affected by mixing processes and offers insight into the effect these processes have on emissions formation and oxidation. The foundation for this exploratory study stems from a large data set which was generated using a genetic algorithm optimization methodology. The main results suggest that an optimal combination of spray targeting, swirl ratio and bowl geometry exist to simultaneously minimize emissions formation and improve soot and CO oxidation rates. Spray targeting was found to have a significant impact on the emissions and fuel consumption performance, and was furthermore found to be the most influential design parameter explored in this study.

In this paper, knock in a Ford single cylinder direct-injection spark-ignition (DISI) engine was modeled and investigated using the KIVA-3V code with a G-equation combustion model coupled with detailed chemical kinetics. The deflagrative turbulent flame propagation was described by the G-equation combustion model. A 22-species, 42-reaction iso-octane (iC8H18) mechanism was adopted to model the auto-ignition process of the gasoline/air/residual-gas mixture ahead of the flame front. The iso-octane mechanism was originally validated by ignition delay tests in a rapid compression machine. In this study, the mechanism was tested by comparing the simulated ignition delay time in a constant volume mesh with the values measured in a shock tube under different initial temperature, pressure and equivalence ratio conditions, and acceptable agreements were obtained.

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].

There is a significant global effort to study low temperature combustion (LTC) as a tool to achieve stringent emission standards with future light duty diesel engines. LTC utilizes high levels of dilution (i.e., EGR > 60% with <10%O2 in the intake charge) to reduce overall combustion temperatures and to lengthen ignition delay, This increased ignition delay provides time for fuel evaporation and reduces in-homogeneities in the reactant mixture, thus reducing NOx formation from local temperature spikes and soot formation from locally rich mixtures. However, as dilution is increased to the limits, HC and CO can significantly increase. Recent research suggests that CO emissions during LTC result from the incomplete combustion of under-mixed fuel and charge gas occurring after the premixed burn period [1, 2]1. The objective of the present work was to increase understanding of the HC/CO emission mechanisms in LTC at part-load.

In previous publications, Singh et al. [1, 2] have shown that direct integration of CFD with a detailed chemistry auto-ignition model (KIVA-CHEMKIN) performs reasonably well for predicting combustion, emissions, and flame structure for stratified diesel engine operation. In this publication, it is shown that the same model fails to predict combustion for partially premixed dual-fuel engines. In general, models that account for chemistry alone, greatly under-predict cylinder pressure. This is shown to be due to the inability of such models to simulate a propagating flame, which is the major source of heat release in partially premixed dual-fuel engines, under certain operating conditions. To extend the range of the existing model, a level-set-based, hybrid, auto-ignition/flame-propagation (KIVA-CHEMKIN-G) model is proposed, validated and applied for both stratified diesel engine and partially premixed dual-fuel engine operation.

Homogeneous or partially premixed charge compression ignition combustion is considered to be an attractive alternative to traditional internal combustion engine operation because of its extremely low levels of pollutant emissions. However, since it is difficult to control the start of combustion timing, direct injection of fuel into the combustion chamber is often used for combustion phasing control, as well as charge preparation. In this paper, numerical simulations of compression ignition processes using gasoline fuel directly injected using a low pressure, hollow cone injector are presented. The multi-dimensional CFD code, KIVA3V, that incorporates various advanced sub-models and is coupled with CHEMKIN for modeling detailed chemistry, was used for the study. Simulation results of the spray behavior at various injection conditions were validated with available experimental data.

Hydraulically intensified medium pressure common rail (MPCR) electronic fuel injection systems are an attractive concept for heavy-duty diesel engine applications. They offer excellent packaging flexibility and thorough engine management system integration. Two different concepts were evaluated in this study. They are different in how the pressure generation and injection events are related. One used a direct principle, where the high-pressure generation and injection events occur simultaneously producing a near square injection rate profile. Another concept was based on an indirect principle, where potential energy (pressure) is first stored inside a hydraulic accumulator, and then released during injection, as a subsequent event. A falling rate shape is typically produced in this case. A unit pump, where the hydraulic intensifier is separated from the injector by a high-pressure line, and a unit injector design are considered for both concepts.

The lift-off length plays a significant role in spray combustion as it influences the air entrainment upstream of the lift-off location and hence the soot formation. Accurate prediction of lift-off length thus becomes a prerequisite for accurate soot prediction in lifted flames. In the present study, KIVA-3v coupled with CHEMKIN, as developed at the Engine Research Center (ERC), is used as the CFD model. Experimental data from the Sandia National Labs. is used for validating the model predictions of n-heptane lift-off lengths and soot formation details in a constant volume combustion chamber. It is seen that the model predictions, in terms of lift-off length and soot mass, agree well with the experimental results for low ambient density (14.8 kg/m3) cases with different EGR rates (21% O2 - 8% O2). However, for high density cases (30 kg/m3) with different EGR rates (15% O2 - 8% O2) disagreements were found.

Homogeneous Charge Compression Ignition (HCCI) combustion is being considered as a practical solution for diesel engines due to its high efficiency and low NOx and PM emissions. However, for diesel HCCI operation, there are still several problems that need to be solved. One is the spay-wall impingement issue associated with early injection, and a further problem is the extension of HCCI operation from low load to higher engine loads. In this study, a combination of Adaptive Injection Strategies (AIS) and a Two-Stage Combustion (TSC) strategy are proposed to solve the aforementioned problems. A multi-dimensional Computational Fluid Dynamics (CFD) code with detailed chemistry, the KIVA-CHEMKIN-GA code, was employed in this study, where Genetic Algorithms (GA) were used to optimize heavy-duty diesel engine operating parameters. The TSC concept was applied to optimize the combustion process at high speed (1737 rev/min) and medium load (57% load).

A three-dimensional homogeneous equilibrium model (HEM) has been developed and implemented into an engine computational fluid dynamics (CFD) code KIVA-3V. The model was applied to simulate cavitating flow within injector nozzle passages. The effects of nozzle passage geometry and injection conditions on the development of cavitation zones and the nozzle discharge coefficient were investigated. Specifically, the effects of nozzle length (L/D ratio), nozzle inlet radius (R/D ratio) and K or KS factor (nozzle passage convergence) were simulated, and the effects of injection and chamber pressures, and time-varying injection pressure were also investigated. These effects are well captured by the nozzle flow model, and the predicted trends are consistent with those from experimental observations and theoretical analyses.