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Technical Paper

Reduction of Reaction Mechanism for n-Tridecane Based on Knowledge of Detailed Reaction Paths

2016-10-17
2016-01-2238
n-Tridecane is a low boiling point component of gas oil, and has been used as a single-component fuel for diesel spray and combustion experiments. However, no reduced chemical kinetic mechanisms for n-tridecane have been presented for three-dimensional modeling. A detailed mechanism developed by KUCRS (Knowledge-basing Utilities for Complex Reaction Systems), contains 1493 chemical species and 3641 reactions. Reaction paths during ignition process for n-tridecane in air computed using the detailed mechanism, were analyzed with the equivalence ratio of 0.75 and the initial temperatures of 650 K, 850 K, and 1100 K, which are located in the cool-flame dominant, negative-temperature coefficient, and blue-flame dominant regions, respectively.
Technical Paper

Compressible Large-Eddy Simulation of Diesel Spray Structure using OpenFOAM

2015-09-01
2015-01-1858
The compressible Large-Eddy Simulation (LES) for the diesel spray with OpenFOAM is presented to reduce CPU time by massively parallel computing of the scalar type supercomputer (CRAY XE6) and simulate the development of the non-evaporative and the evaporative spray. The maximum computational speeds are 14 times (128 cores) and 43 times (128 cores) for of the non-evaporative spray and the spray flame with one-step reaction, respectively, compared to the one core simulation. In the spray flame simulation with the reduced reaction mechanism (29 species, 52 reactions), the maximum computational speed is 149 times (512 cores). Then LES of the non-evaporative and the evaporative spray (Spray A) are calculated. The results indicate that the spray tip penetration is well predicted, although the size of the computational domain must be set equal to that of the experiment.
Journal Article

Simultaneous Reduction of Pressure Rise Rate and Emissions in a Compression Ignition Engine by Use of Dual-Component Fuel Spray

2012-10-23
2012-32-0031
Ignition, combustion and emissions characteristics of dual-component fuel spray were examined for ranges of injection timing and intake-air oxygen concentration. Fuels used were binary mixtures of gasoline-like component i-octane (cetane number 12, boiling point 372 K) and diesel fuel-like component n-tridecane (cetane number 88, boiling point 510 K). Mass fraction of i-octane was also changed as the experimental variable. The experimental study was carried out in a single cylinder compression ignition engine equipped with a common-rail injection system and an exhaust gas recirculation system. The results demonstrated that the increase of the i-octane mass fraction with optimizations of injection timing and intake oxygen concentration reduced pressure rise rate and soot and NOx emissions without deterioration of indicated thermal efficiency.
Journal Article

Modeling of Auto-Ignition and Combustion Processes for Dual-Component Fuel Spray

2011-09-11
2011-24-0001
Auto-ignition and combustion processes of dual-component fuel spray were numerically studied. A source code of SUPERTRAPP (developed by NIST), which is capable of predicting thermodynamic and transportation properties of pure fluids and fluid mixtures containing up to 20 components, was incorporated into KIVA3V to provide physical fuel properties and vapor-liquid equilibrium calculations. Low temperature oxidation reaction, which is of importance in ignition process of hydrocarbon fuels, as well as negative temperature coefficient behavior was taken into account using the multistep kinetics ignition prediction based on Shell model, while a global single-step mechanism was employed to account for high temperature oxidation reaction. Computational results with the present multi-component fuel model were validated by comparing with experimental data of spray combustion obtained in a constant volume vessel.
Technical Paper

Chemical Kinetics Study on Ignition Characteristics of Biodiesel Surrogates

2011-08-30
2011-01-1926
Methyl butanoate (MB) and methyl decanoate (MD) are surrogates for biodiesel fuels. According to computational results with their detailed reaction mechanisms, MB and MD indicate shorter ignition delays than long alkanes such as n-heptane and n-dodecane do at an initial temperature over 1000 K. The high ignitability of these methyl esters was computationally analyzed by means of contribution matrices proposed by some of the authors. Due to the high acidity of an α-H atom in a carbonyl compound, hydroperoxy radicals are generated out of the equilibrium between forward and backward reactions of O₂ addition to methyl ester radicals by the internal transfer of an α-H atom in the initial stage of an ignition process. Some of the hydroperoxy methyl ester radicals can generate OH to activate initial reactions. MB has an efficient CH₃O formation path via CH₃ generated by the β-scission of an MB radical which has a radical site on the α-C atom to the carbonyl group.
Technical Paper

Visualization of the Cavitating Flow inside the Nozzle Hole Using by Enlarged Acrylic Nozzle

2011-08-30
2011-01-2062
In this study, it is purpose to make clear the effect of cavitation phenomenon on the spray atomization. In this report, the cavitation phenomenon inside the nozzle hole was visualized and the pressure measurements along the wall of the nozzle hole were carried out by use of 25-times enlarged acrylic nozzle. For the representatives of regular gasoline, single and two-component fuels were used as a test fuel. In addition, various cavitating flow patterns same as experimental conditions were simulated by use of Barotropic model incorporated in commercial code of Star-CD scheme, and compared with experimental results.
Technical Paper

Effect of Breakup Model on Diesel Spray Structure Simulated by Large Eddy Simulation

2009-09-13
2009-24-0024
LES of non-evaporative diesel spray have been performed to investigate the effects of breakup models of Modified TAB, WAVE and KHRT model on computational results. KIVALES that is LES version of KIVA code was used for base code. In our KIVALES, CIP scheme was incorporated in order to suppress the numerical diffusion. Results showed that the breakup model is significantly affected on the calculated spray shape, because the droplet diameter determined by breakup models affects on the transmittance of the droplet momentum into the ambient gas, the evolution of the vortex structure in the gas phase and the droplet dispersion by the vortex structure.
Technical Paper

Instantaneous and Statistical Structures of Non-Evaporative Diesel Spray

2007-07-23
2007-01-1899
Instantaneous and statistical spray structures of diesel sprays are examined with numerical simulation and experiment. KIVALES, which is LES version of KIVA code, is used as the computational code. Injection velocity profiles measured by momentum method are employed for the initial condition of the calculation. In the experiment, shadowgraph photography is performed to measure macroscopic spray structure. LES approach predicts the instantaneous structure, which are the heterogeneity and intermittency in the periphery of the spray and the cyclic variability of each injection event. Moreover, LES can predict both the instantaneous and statistical spray structures.
Technical Paper

Study on Characteristics of Auto-Ignition and Combustion of Unsteady Synthetic Gas Jet

2007-04-16
2007-01-0629
It is thought that the synthetic gas, including hydrogen and carbon monoxide, has a potential to be an alternative fuel for internal combustion engines, because a heating value of the synthetic gas is higher than one of hydrogen or natural gas. A purpose of this study is to acquire stable auto-ignition and combustion of the synthetic gas which is supposed to be applied into a direct-injection compression ignition engine. In this study, the effects of ambient gas temperatures and oxygen concentrations on auto-ignition characteristics of the synthetic gas with changing percentage of hydrogen (H2) or carbon monoxide (CO) concentrations in the synthetic gas. An electronically-controlled, hydraulically-actuated gas injector was used to control a precise injection timing and period of gaseous fuels, and the experiments were conducted in an optically accessible, constant-volume combustion chamber under simulated quiescent diesel engine conditions.
Technical Paper

Large Eddy Simulation of Diesel Spray Combustion with Eddy-Dissipation Model and CIP Method by Use of KIVALES

2007-04-16
2007-01-0247
Three-dimensional large eddy simulation (LES) has been conducted for a diesel spray flame using KIVALES which is LES version of KIVA code. Modified TAB model, velocity interpolation model and rigid sphere model are used to improve the prediction of the fuel-mixture process in the diesel spray. Combustion is simulated using the Eddy-Dissipation model. CIP method was incorporated into the KIVALES in order to suppress the numerical instability on the combustible flow. The formation of soot and NO was simulated using Hiroyasu model and KIVA original model. Three different grid resolutions were used to examine the grid dependency. The result shows that the LES approach with 0.5 mm grid size is able to resolve the instantaneous spray with the intermittency in the spray periphery, the axi-symmetric shape and meandering flow after the end of injection as shown in the experimental results.
Technical Paper

Spray and Combustion Characteristics of Reformulated Biodiesel with Mixing of Lower Boiling Point Fuel

2007-04-16
2007-01-0621
Authors propose the reformulation technique of physical properties of Biodiesel Fuel (BDF) by mixing lower boiling point fuels. In this study, waste cooking oil methyl ester (B100), which have been produced in Kyoto city, is used in behalf of BDF. N-Heptane (C7H16) and n-Dodecane (C12H26) are used as low and medium boiling point fuel. Mixed fuel of BDF with lower boiling point fuels have lighter quality as compared with neat BDF. This result is based on the chemical-thermo dynamical liquid-vapor equilibrium theory. This paper describes fundamental spray and combustion characteristics of mixed fuel of B100 with lower boiling point fuels as well as the reformulation technique. By mixing lower boiling point fuel, lighter quality fuels can be refined. Thus, mixed fuels have higher volatility and lower viscosity. Therefore, vaporization of mixed fuel spray is promoted and liquid phase penetration of mixed fuel shortens as compared with that of neat BDF.
Technical Paper

Large Eddy Simulation of Non-Evaporative and Evaporative Diesel Spray in Constant Volume Vessel by Use of KIVALES

2006-10-16
2006-01-3334
Large Eddy Simulation (LES) is applied to non-evaporative and evaporative diesel spray simulations. KIVALES, which is LES version of KIVA code, is used as the LES computational code. Modified TAB model is used as breakup model, and interpolated donor cell differencing scheme is employed to calculate convective terms. To validity LES simulation, LES results using KIVALES are compared with experimental results and simulated results with conventional RANS approach using KIVA3V res.2. The results show that the LES simulation of non-evaporative spray depends on the grid size in comparison with RANS simulation, and good agreement is obtained between experimental results and the LES results with fine grid (720,000 cells). Furthermore, asymmetric non-evaporative spray which has intermittency at the outer edge of sprays is simulated, since instantaneous turbulent flow field can be predicted directly in LES case.
Technical Paper

Detailed Kinetic Modeling and Laser Diagnostics of Soot Formation Process in Diesel Jet Flame

2004-03-08
2004-01-1398
This work investigates the soot formation process in diesel jet flame using a detailed kinetic soot model implemented into the KIVA-3V multidimensional CFD code and 2D imaging by use of time-resolved laser induced incandescence (LII). The numerical model is based on the KIVA code which is modified to use CHEMKIN as the chemistry solver using Message Passing Interface (MPI). This allows for the chemical reactions to be simulated in parallel on multiple CPUs. The detailed soot model used is based on the method of moments, which begins with fuel pyrolysis, followed by the formation of polycyclic aromatic hydrocarbons, their growth and coagulation into spherical particles, and finally, surface growth and oxidation of the particles. The model can describe the spatial and temporal characteristics of soot formation processes such as soot precursors distributions, nucleation rate and surface reaction rate.
Technical Paper

On-Board Measurement of Engine Performance and Emissions in Diesel Vehicle Operated with Bio-diesel Fuel

2004-03-08
2004-01-0083
This paper describes the results of on-board measurement of engine performance and emissions in diesel vehicle operated with bio-diesel fuels. Here, two waste-cooking oils were investigated. One fuel is a waste-cooking oil methyl esters. This fuel is actually applied to a garbage collection vehicle with DI diesel engine (B100) and the city bus (B20; 80% gas oil is mixed into B100 in volume) as an alternative fuel of gas oil in Kyoto City. Another one is a fuel with ozone treatment by removing impurities from raw waste-cooking oils. Here, in order to improve the fuel properties, kerosene is mixed 70% volume in this fuel. This mixed fuel (i-BDF) is applied into several tracks and buses in Wakayama City. Then, these 3 bio-diesel fuels were applied to the on-board experiments and the results were compared with gas oil operation case.
Technical Paper

Modeling Atomization and Vaporization Processes of Flash-Boiling Spray

2004-03-08
2004-01-0534
Flash-boiling occurs when a fuel is injected to a combustion chamber where the ambient pressure is lower than the saturation pressure of the fuel. It has been known that flashing is a favorable mechanism for atomizing liquid fuels. On the other hand, alternative fuels, such as gaseous fuels and oxygenated fuels, are used to achieve low exhaust emissions in recent years. In general, most of these alternative fuels have high volatility and flash-boiling takes place easily in fuel spray, when they are injected into the combustion chamber of an internal combustion engine under high pressure. In addition, fuel design concept the multicomponent fuel with high and low volatility fuels has been proposed in the previous study in order to control the spray and combustion processes in internal combustion engine. It is found that the multicomponent fuel produce flash-boiling with an increase in the initial fuel temperature.
Technical Paper

Flame Structure and Combustion Characteristics in Diesel Combustion Fueled with Bio-diesel

2004-03-08
2004-01-0084
The Flame structure and combustion characteristics for two waste-cooking oils were investigated in detail. One fuel is the waste-cooking oil methyl esters. This fuel is actually applied to the garbage collection vehicle with DI diesel engine (B100) and the city bus (B20; 80% gas oil is mixed into B100 in volume) as an alternative fuel of gas oil in Kyoto City. Another one is the fuel with ozone treatment by removing impurities from raw waste-cooking oils. Here, in order to improve the fuel properties, kerosene is mixed 70% volume in this fuel. This mixed fuel (i-BDF) is applied into several tracks and buses in Wakayama City. In the experiments, the used fuels were gas oil, i-BDF, B100 and B20. Spray characteristics and basic combustion properties were measured inside a rapid compression and an expansion machine (RCEM).
Technical Paper

Effects of Ambient Gas Conditions on Ignition and Combustion Process of Oxygenated Fuel Sprays

2003-05-19
2003-01-1790
This work presents the ignition delay time characteristics of oxygenated fuel sprays under simulated diesel engine conditions. A constant volume combustion vessel is used for the experiments. The fuels used in the experiments were three oxygenated fuels: diethylene glycol dibutyl ether, diethylene glycol diethyl ether, and diethylene glycol dimethyl ether. JIS 2nd class gas oil was used as the reference fuel. The ambient gas temperature and oxygen concentration were ranging from 700 to 1100K and from 21 to 9%, respectively. The results show that the ignition delay of each oxygenated fuel tested in this experiments exhibits shorter than that of gas oil fuel for the wide range of ambient gas conditions. Also, NTC (negative temperature coefficient) behavior which appears under shock tube experiment for homogenous fuel-air mixture was observed on low ambient gas oxygen concentration for each fuel. And at the condition, the ignition behavior exhibits two-stage phase.
Technical Paper

Soot Kinetic Modeling and Empirical Validation on Smokeless Diesel Combustion with Oxygenated Fuels

2003-05-19
2003-01-1789
This paper provides new insights on the mechanism of the smokeless diesel combustion with oxygenated fuels, based on a combination of soot kinetic modeling and optical diagnostics. The chemical effects of fuel compositions, including aromatics - paraffins blend, neat oxygenated fuels and oxygenate additives, on sooting equivalence ratio ‘ϕ’ - temperature ‘T’ dependence were numerically examined using a detailed soot kinetic model. To better understand the physical factors affecting soot formation in oxygenated fuel sprays, the effects of injection pressure and ambient gas temperature on the flame lift-off length and relative soot concentration in oxygenated fuel jets were experimentally investigated. The computational results show that the leaner mixture side of soot formation peninsula on the ϕ - T map, rather than the lower temperature one, should be utilized to suppress the formation of PAHs and ultra-fine particles together with the large reduction in particulate mass.
Technical Paper

Modeling of Wall Impinging Behavior with a Fan Shaped Spray

2003-05-19
2003-01-1841
The experiment-based droplet impinging breakup model was applied to a fan shaped spray and the impinging behavior was analyzed quantitatively. Evaluation of the quantitative results with validation tests verified the following. The model enables prediction of fan shaped spray thickness after impingement caused by the breakup of fuel droplets, which could not be represented with the Wall-Jet model, widely used at present. Fuel film movement on a wall is negligible when the injection pressure of the fan shaped spray is high and the spray travelling length is not too short. The proposed heat transfer coefficient between fuel film and the wall is too small to represent the vaporizing rate of the fuel film.
Technical Paper

Analysis of Visualized Fuel Flow inside the Slit Nozzle of Direct Injection SI Gasoline Engine

2003-03-03
2003-01-0060
In the direct injection spark ignition gasoline engine (D-4), thin fan-shaped high-dispersion, high-penetration and high-atomization spray formed by the slit nozzle generates a stratified mixture cloud without depending on a strong intake air motion, subsequently realizing stable stratified charge combustion. To improve fuel economy further in actual traffic, the region of stratified charge combustion in torque-engine speed map must be expanded by improving spray characteristics. Since the fuel flow inside the nozzle has a large effect on the spray characteristics, it was clarified this effect by visual analysis of the fuel flow inside the nozzle using an enlarged acrylic slit nozzle of 10 magnifications. Consequently, it was found that vortices are generated frequently within a sac even in the case of steady state conditions. The effect on the spray characteristics is corresponding to the vortex scale.
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