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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.

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 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 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.

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.

This paper describes a simulation program of gas exchange processes in a multi-cylinder internal combustion engine and also describes its applicability to automotive engines which are operated under various engine speed and load conditions. This simulation program has sufficient flexibility to incorporate almost all intake and exhaust systems of today’s high speed automotive multi-cylinder engines. To improve the predicting accuracy, a finite difference scheme is used for solving equations defining gas flow dynamics in these systems and moreover a modified Constant-Pressure Theory is used for modeling branches of intake and exhaust manifolds. In order to evaluate the accuracy of the simulation program, predicted results were compared with experimental data and satisfactory agreement was obtained.

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.

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.

The progress of vehicle electrification has reduced engine noise and the improvement of rear differential gear whine noise has become more important for customer satisfaction. Rear differential gear whine noise is a result of the vibration generated by the transmission error of the gears transmitted to the cabin from various paths. As several components have a contribution, identifying key paths to develop an effective countermeasure becomes time consuming. Operational transfer path analysis (OTPA) is one of the TPA methods to determine the main path and contributing part using only the operational data. However, in cases where many reference points are set on the same frame or body, the contribution becomes similar because of high correlation between the reference data set. As a result, finding the main transfer path becomes difficult.

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.

A high-accuracy knocking or end-gas autoignition prediction model with low computational loads is necessary to develop thermal-efficiency improvement technologies for SI engines efficiently using computational techniques. Livengood-Wu integral has been applied widely as a simple and practical model to predict in-cylinder autoignition timing. In the present study, a high-accuracy model based on Livengood-Wu integral, has been investigated. First, a small set of ignition delay time equations for a premium-gasoline surrogate fuel has been developed, which can reproduce the temperature-, pressure-, equivalence ratio-, and EGR-dependences of ignition delay time under constant-volume condition, produced using a detailed reaction mechanism. Then, Livengood-Wu integral using the ignition delay time equations has been applied to predict in-cylinder autoignition timing produced using the detailed reaction mechanism.