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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.

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.

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.

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.

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.

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.

Hydrocarbon thermal ignition in internal combustion engines is controlled by the balance of heat release rate by chemical reactions and internal energy formation or removal rate by adiabatic compression or expansion. Heat release rate can be described by a simple “Universal Rule”, that the heat release rate during the thermal ignition preparation period is determined by H2O2 loop composed of four elementary reactions. This rule was validated by sensitivity analysis and response analysis to perturbation of intermediate species concentrations. The rule was applied to clarify several subjects with experimental backgrounds, such as ignition characteristics of higher octane number fuels, an old and well-known knocking model and the influence of H2 addition.

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.

The maximum liquid-phase penetration and vaporization behavior was investigated by using simultaneous measurement for mie-scattered light images and shadowgraph ones. The objective of this study was to analyze effect of variant parameters (injection pressure, ambient gas condition and fuel temperature) and fuel properties on vaporization behavior, and to investigate liquid phase penetration for the single- and multi-component fuels. The experiments were conducted in a constant-volume vessel with optical access. Fuel was injected into the vessel with electronically controlled common rail injector.

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.

In this study, characteristics of the development and auto-ignition/combustion of hydrogen jets were investigated in a constant-volume vessel. The authors focused on the effects of the jet developing process and thermodynamic states of the ambient gas on auto-ignition delays of hydrogen jets. The results show that the ambient gas temperature and nozzle-hole diameter are significantly effective parameters. By contrast, it is clarified that the ambient gas oxygen concentration has a weak effect on the auto-ignition/combustion of hydrogen jets. Consequently, it is supposed that the mixture formation process is capable of improving the auto-ignition/combustion of hydrogen jets.

In the actual spray combustion fields, coupled combustion process should be occurred, between the pre-evaporate fuel component and remaining liquid droplets. Therefore it is insufficient to clarify the fundamental spray combustion mechanism with use of only droplet or only premixed mixture analyze method. In this study, the premixed mixture - droplets coupled combustion field was focused as a model of the actual spray combustion field. In the experiments, the effect of the flame pattern and the combustion rate constant by the interference between the droplets were clarified with the variation of fuels used by droplets. Besides, the effect of the premixed gas surrounding the droplets was clarified by the experiment on coupled combustion. The experiments were carried out under the normal gravity field and the micro gravity field to estimate the effect of convection in combustion field

This study proposes a hybrid model which consists of modified TAB(Taylor Analogy Breakup) model and DVM(Discrete Vortex Method). In this study, the simulation process is divided into three steps. The first step is to analyze the breakup of droplet of injected fuel by using modified TAB model. The second step based on the theory of Siebers' liquid length is analysis of spray evaporation. The liquid length analysis of injected fuel is used for connecting both modified TAB model and DVM. The final step is to reproduce the ambient gas flow and inner vortex flow injected fuel by using DVM. In order to examine the hybrid model, an experiment of a free evaporating fuel spray at early injection stage of in-cylinder like conditions had been executed. The numerical results calculated by using the present hybrid model are compared with the experimental ones.