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Research on alternative fuels is necessary to reduce CO2 emissions. Hydrotreated Vegetable Oil (HVO) of light fuel physically improves spray and combustion characteristics. Fatty Acid Methyl Ester (FAME) is an oxygenated fuel and its combustion characteristics are chemically improved, although its spray characteristics such as penetration and atomization are deteriorated. The purpose of this study is to understand the effects of blending HVO, which has carbon neutral (CN) characteristics, with FAME, which also has CN characteristics, on spray and combustion characteristics, and to further improve emission such as THC and Smoke. This report presents the effect of the combination of improved spray characteristics and oxygenated fuel on emissions. Spray characteristics such as penetration, spray angle and spray volume were investigated by shadowgraph photography.

Fuel design concept has been proposed for low emission and combustion control in engine systems. In this concept, the multicomponent fuels, which are mixed with a high volatility fuel (gasoline or gaseous fuel components) and a low volatility fuel (gas oil or fuel oil components), are used for artificial control of fuel properties. In addition, these multicomponent fuels can easily lead to flash boiling which promote atomization and vaporization in the spray process. In order to understand atomization and vaporization process of multicomponent fuels in detail, the model for flash boiling spray of multicomponent fuel have been constructed and implemented into KIVA3V rel.2. This model considers the detailed physical properties and evaporation process of multicomponent fuel and the bubble nucleation, growth and disruption in a nozzle orifice and injected fuel droplets.

We have proposed the application of EGR gas dissolved fuel which might improve spray atomization through effervescent atomization instead of high injection pressure. In this paper, the purpose is to evaluate the influence of the application of CO2 gas dissolved fuel on the combustion characteristics and emissions inside the single cylinder, direct injection diesel engine. As a result, by use of the fuel, smoke was reduced by about 50 to 70%. The amount of NOx was reduced at IMEP=0.3 MPa, but it was increased at IMEP=0.9 MPa.

The CO2 gas dissolved fuel for the diesel combustion is effective to reduce the NOx emissions to achieve the internal EGR (Exhaust Gas Recirculation) effect by fuel. This method has supplied EGR gas to the fuel side instead of supply EGR gas to the intake gas side. The fuel has followed specific characteristics for the diesel combustion. When the fuel is injected into the chamber in low pressure, this CO2 gas is separated from the fuel spray. The distribution characteristics of the spray are improved and the improvement of the thermal efficiency by reduction heat loss in the combustion chamber wall, and reduce soot emissions by the lean combustion is expected. Furthermore, this CO2 gas decreases the flame temperature. Further, it is anticipated to reduce NOx emissions by the spray internal EGR effect.

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.

The ignition delay times of n-C7H16, i-C8H18, and a blend of them at different fuel, O2 and N2 concentrations were computed using a detailed chemical kinetic mechanism generated by KUCRS. For each fuel, the dependences of ignition delay time on fuel, O2 and third body concentrations and on the heat capacity of a mixture were distilled to establish a power law equation for ignition delay time. For n-C7H16, ignition delay time τhigh without low-temperature oxidation at a high initial temperature between 1000 K and 1200 K was expressed using the scaling exponents for fuel, O2 and third body concentrations and heat capacity of 0.54, 0.29, 0.08, and - 0.38, respectively. Low-temperature oxidation induction time τ1 at a low initial temperature between 600 K and 700 K was expressed using the scaling exponents for fuel, O2 and third body concentrations and heat capacity of 0.03, 0.18, 0.04, and - 0.17, respectively.

To execute the computational fluid dynamics coupling with fuel chemistry in internal combustion engines, simplified chemical kinetic models which capture the low-temperature oxidation kinetics would be required. A steady-state analysis was applied to see the complicated reaction mechanism of alkylperoxy radicals by assuming the steady state for hydroperoxyalkyl (QOOH) and hydroperoxyalkylperoxy (OOQOOH) radicals. This analysis clearly shows the systematic trend of the reaction rate for the chain-branching and non-branching process of alkylperoxy (ROO) radicals as a function of the chain length and the carbon class. These trends make it possible to classify alkylperoxy radicals by their chemical structures, and suggest a reduced low-temperature oxidation chemistry.

Fuel design approach has been proposed as the control technique of spray and combustion processes in diesel engine to improve thermal efficiency and reduce exhaust emissions. In order to kwow if this approach is capable of controlling spray flame structure and interaction between the flame and a combustion chamber wall, the present study investigated ignition and flame characteristics of dual-component fuels, while varying mixing fraction, fuel temperature and ambient conditions. Those characteristics were evaluated through chemiluminescence photography and luminous flame photography. OH radical images and visible luminous flame images were analyzed to reveal flame shape aspect ratio and its fractal dimension.

One of the authors has proposed to use the decay rate of EHRR, the effective heat release rate, d2Q/dθ2 as an index for the rapid local combustion [1]. In this study, EHRR profiles and the cylinder gas pressure oscillations of the low and high speed knock are analyzed by using this index. A delayed rapid local combustion, such as an autoignition with small burned mass fraction can be detected. In the cases of the low speed knock, it has been agreed that a rapid local combustion is an autoignition. Although whether the cylinder gas oscillation is provoked by an auto ignition in a certain cycle or not is an irregular phenomenon, the auto ignition takes place in almost all of the cycles in the knocking condition. Mixture mass fraction burned by an auto ignition is large. A small auto ignition may induce a secondary auto ignition, in many cases, mass burned by the secondary auto ignition is extremely large.

The interaction between spark discharge and low-temperature oxidation (LTO) was investigated using an optical compression and expansion machine fueled with n-C7H16 or i-C8H18 for an equivalence ratio of 0.33. Charge pressure was adjusted so that the compression stoke could induce LTO for n-C7H16, but could not lead to high-temperature reactions. A spark was discharged in the field before, during, or after the LTO for n-C7H16 or in the field without LTO for i-C8H18. Reaction zones were induced in the field after the LTO, whereas no reaction zones were induced in the fields before the LTO and without LTO. Local ignitions were induced in the areas surrounding the propagating reaction zones. The reaction zone propagation with the low equivalence ratio must be a different phenomenon from conventional flame propagation. The reaction zones can compress or heat the surrounding areas containing H2O2 and CH2O, and accelerate an H2O2 regeneration loop in the pre-reaction zones.

A fuel design concept for an HCCI engine based on chemical kinetics to optimize the heat release profile and achieve robust ignition was proposed, and applied to the design of the optimal methane-based blend. Ignition process chemistry of each single-component of natural gas, methane, ethane, propane, n-butane and isobutane, was analyzed using detailed chemical kinetic computations. Ethane exhibits low ignitability, close to that of methane, when the initial temperature is below 800 K, but higher ignitability, close to those of propane, n-butane and isobutane, when the initial temperature is above 1100 K. Furthermore, ethane shows a higher heat release rate during the late stage of the ignition process. If the early stage of an ignition process takes place during the compression stroke, this kind of heat release profile is desirable in an HCCI engine to reduce cycle-to-cycle variation during the expansion stroke.

The relationships between the octane number and the carbon atom number and the molecular structure of alkanes were comprehensively analyzed by using the detailed kinetic model generated by there automatic reaction scheme generation tool, KUCRS [1, 2]. The octane number is an index showing the ignition delay in the engine temperature regime, that is, the engine ignition temperature range. The high octane number is observed in the following two cases; 1 The ignition delay of the low temperature region is large. 2 The ignition delay of the low temperature region is the same, but the transition temperature for NTC (Negative Temperature Coefficient) region is low.

Some experimental data indicate that an HCCI process of a highly diluted mixture is characterized with a two-stage profile of heat release after the heat release by low-temperature oxidation, and with slow CO oxidation into CO₂ at a low temperature. In the present paper, these characteristics are discussed using a detailed chemical kinetic model of normal heptane, and based on an authors' idea that an ignition process can be divided into five phases. The H₂O₂ loop reactions mainly contribute to heat release in a low-temperature region of the TI (thermal ignition) preparation phase. However, H+O₂+M=HO₂+M becomes the main contributor to heat release in a high-temperature region of the TI preparation phase. H₂O₂ is accumulated during the LTO (low-temperature oxidation) and NTC (negative temperature oxidation) phases, and drives the H₂O₂ loop reactions to increase the temperature during the TI preparation phase.

Gasoline includes various kinds of chemical species. Thus, the reaction model of gasoline components that includes the low-temperature oxidation and ignition reaction is necessary to investigate the method to control the combustion process of the gasoline engine. In this study, a gasoline combustion reaction model including n-paraffin, iso-paraffin, olefin, naphthene, alcohol, ether, and aromatic compound was developed. KUCRS (Knowledge-basing Utilities for Complex Reaction Systems) [1] was modified to produce paraffin, olefin, naphthene, alcohol automatically. Also, the toluene reactions of gasoline surrogate model developed by Sakai et al. [2] including toluene, PRF (Primary Reference Fuel), ethanol, and ETBE (Ethyl-tert-butyl-ether) were modified. The universal rule of the reaction mechanisms and rate constants were clarified by using quantum chemical calculation.

Ignition process chemistry was analyzed using a detailed chemical kinetic model of n-heptane generated by KUCRS (Knowledge-basing Utilities for Complex Reaction Systems), wherein pressure-dependent rate constants of the O₂ addition to alkyl radicals and hydroperoxy alkyl radicals and the thermal decomposition of ketohydroperoxides have been introduced. Then, the effect of the initial pressure and the individual effects of the initial fuel, O₂ and N₂ molar concentrations on a relationship between the initial temperature and the ignition delay were discussed. When the initial temperature increases, the branch of C₇H₁₄OOH removal into the second O₂ addition and the decomposition into C₇H₁₄cyO and OH is more sensitive to the pressure and the O₂ concentration, and thus, the LTO preparation phase is more affected by the pressure and the O₂ concentration. The LTO phase terminates mainly by the OH removal by intermediate species.

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.

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.

A systematic chemical lumping method has been proposed, based on the detailed kinetic analysis of hydrocarbon fuel ignitions. The model constructed by using this method contains two reaction sets, RO2 and fragment reaction package. The ignition characteristics of each fuel can be reflected by only adjusting several rate parameters in RO2 reaction package. From the comparison with detailed model, it was confirmed that this simplified model well reproduces the results of detailed one without missing the kinetics of hydrocarbon ignitions. We concluded that this new lumping approach has the possibility to be applicable to every hydrocarbon fuels.

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.

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.