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The ignition characteristics of each component of natural gas and the chemical kinetic factors determining those characteristics were investigated using detailed chemical kinetic calculations. Ethane (C2H6) showed a relatively short ignition delay time with high initial temperature; the heat release profile was slow in the early stage of the ignition process and rapid during the late stage. Furthermore, the ignition delay time of C2H6 showed very low dependence on O2 concentration. In the ignition process of C2H6, HO2 is generated effectively by several reaction paths, and H2O2 is generated from HO2 and accumulated with a higher concentration, which promotes the OH formation rate of H2O2 (+ M) = OH + OH (+ M). The ignition characteristics for C2H6 can be explained by H2O2 decomposition governing OH formation at any initial temperature.

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 ignition delay times and heat release profiles of CH4, C2H6, C3H8, i-C4H10, and n-C4H10 and dual-component CH4-based blends with these alkanes in air were determined using a detailed chemical kinetic model. The apparent activation energy of C2H6 in the relationship between initial temperature and ignition delay time is higher than those of the other alkanes because OH formation is dominated by H2O2(+M)=OH+OH(+M) from the beginning over a wide range of initial temperatures. The heat release rate of C2H6 is higher than those of the other alkanes in the late stage of ignition delay time because H2O2 is accumulated with a higher concentration and promotes the OH formation rate of H2O2(+M)=OH+OH(+M). These ignition characteristics are reflected in those of CH4/C2H6.

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, 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.

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.

A dual fuel operation with different reactivity fuels has the possibility of optimizing performance and emissions in premixed charge compression ignition engines by controlling the spatial concentration and distribution of both fuels. In the present study, n-heptane and i-octane were independently injected through two different injectors. In-cylinder pressure analysis and emissions measurement were performed in a compression ignition engine. Injection timings, fuel quantity ratio between the injections were changed for the two cases, in which one fuel was injected using a port fuel injection system while the other was directly injected into the cylinder, in order to drastically vary mixture distributions and ignition timings. In addition, an optical diagnostic was performed in a rapid compression and expansion machine to develop an understanding of the ignition processes of the two mixtures.

The objective of this study is to explore the relation among mixture distribution condition, chemical character of fuel, combustion processes, and emissions characteristics with premixed charge compression ignition (PCCI) operation. The present experiment employs two fuel injectors which are capable of port injection and direct one. The former was used to supply a highly-homogeneous mixture and the latter with late injection timing was employed to control the mixture heterogeneity. Thus, these sets of injection equipments are capable of setting a wide variety of mixture heterogeneity. Furthermore, two primary reference fuels were used in order to know the influences of chemical character. The experiments were conducted in order to clarify the combustion and emissions characteristics through engine tests. Optical diagnostic was also performed to gain additional insight into the combustion processes for a wide variety of mixture distribution.

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.

In this study, a numerical experiment using a 2D convective equation and LES of an evaporative diesel spray for different convective schemes has been performed to examine effects of convective schemes on a fuel-air mixture formation of the diesel spray simulation and to determine the convective scheme used in KIVALES. In addition to KIVALES original schemes, such as QSOU, PDC and IDC, CIP was incorporated into KIVALES in order to calculate the convective terms with low numerical diffusion. The numerical experiment using the 2D convective equation showed that the numerical diffusion of CIP scheme was lowest in the convective schemes used in present study. However CIP scheme used was not a monotone scheme completely due to the overshoot and the undershoot of the scalar provided near the boundary. Hence, CIP scheme was employed for only the convective term of the LES momentum equation, while the other convective schemes were calculated using QSOU, which is a monotone scheme.

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.

A diesel engine operating in premixed charge compression ignition (PCCI) mode promises the reduction of engine-out emissions of NOx and particulate matter. A serious issue for PCCI operation with the early injection timing during the compression stroke is the difficulty of controlling the mixture formation process. In this study, a mixed fuel consisting of high volatility fuel and high ignitability one is applied in order to develop a control technique for the mixture preparation. In particular, we focuses on a flash boiling phenomenon of mixed fuel. For pure substance, the quality of flashing spray is dominated by the degree of superheat. In contrast, that of mixed fuel is affected much by low boiling point fuel.

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.

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.

Detailed reaction path analyses of DME (dimethyl ether, CH3OCH3) and n-heptane (n-C7H16) were performed computationally with the “contribution matrix” showing the contribution ratios of important elementary reactions to formation or removal of every species or heat release at transient temperatures. It was found that the “H2O2 reaction loop” defined by the authors plays an important role in the initiation of thermal ignition. This is a reaction loop composed of four reactions, H2O2 + M → 2OH + M, OH + CH2O → HCO + H2O, HCO + O2 → HO2 + CO and 2HO2 → H2O2 + O2. The overall reaction is 2CH2O + O2 → 2H2O + 2CO + 473 kJ. This loop begins to be active, when the OH formation by H2O2 + M → 2OH + M becomes dominant against those by cool-flame reactions with NTC's (negative temperature coefficient) at about 950 K. The loop releases a significant amount of heat without consuming H2O2.

A single cylinder engine has been run with direct-injection premixed charge compression ignition (PCCI) operation. The operation is fueled with primary reference fuels for a wide variety of injection timing and equivalence ratio to investigate the effect of charge stratification and octane rating on PCCI combustion. The test results showed that although the change of the injection timing can gain the high combustion efficiency for a wide range of equivalence ratio, the combustion phasing where the high combustion efficiency is accomplished is not varied only by changing the injection timings. Therefore, the only change of injection timings does not improve the thermal efficiency which is influenced by the combustion phasing. On the other hand, at the fixed compression ratio, inlet air temperature and so on, the octane rating is useful in altering the combustion phasing.