Tailoring fuel properties to maximize the efficiency of internal combustion engines is a way towards achieving cleaner combustion systems. In this work, the ignition properties along with the chemical composition (expressed as functional groups) of various light distillate (e.g., gasoline) cuts were analyzed to better understand the properties of full boiling range fuels. Various distillation cuts were obtained with a spinning band distillation system, which were then tested in an ignition quality tester (IQT) to obtain their global chemical reactivity (i.e., ignition delay time (IDT)). The distillates were further analyzed with 1H nuclear magnetic resonance (NMR) spectroscopy to identify and quantify various functional groups present in them. Various gasolines of research grade with specific target properties set forth by the Coordinating Research Council (CRC) that are known as FACE (fuels for advanced combustion engines) gasolines were distilled. When fuels with low aromatic content were distilled, the higher boiling point (BP) range (i.e., higher molecular weight) fractions exhibited lower IDT. However, distilled fractions of fuels with high aromatic content showed an initial decrease in IDT with increasing BP, followed by drastic increase in IDT primarily due to increasing aromatic groups. This study provides an understanding of the contribution of various volatile fractions to the IDTs of a multicomponent fuel, which is of relevance to fuel stratification utilized in gasoline compression ignition (GCI) engines to tailor heat release rates.

Pyrolytic kinetics of indene was studied in a flow reactor at 30 and 760 Torr. Indene and its decomposition products, as well as polycyclic aromatic hydrocarbons (PAHs), were measured with synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). Five literature models were selected to reproduce the experimental data and analyze the reaction kinetics of indene. The experimental and predicted results illustrate that an indenyl radical is the dominant decomposition intermediate and also the main contributor to the further growth of aromatic rings in the pyrolysis of indene. The indene consumption process needs further precise characterization, especially the subsequent dissociation reactions of indanyl and indenyl radicals. A self-recombination reaction of the indenyl radical and the combination reactions between indenyl and other radicals are found to be necessary for the efficient formation of large PAHs. The absence of these pathways leads to the underprediction of experimental measurements. In contrast, literature models adopting indenyl global reactions for PAH formation generally overestimate the system reactivity. Proper radical combination pathways proposed in a future model should consider not only the PAH formation efficiency but also its impact on system reactivity.

Liquefied Natural Gas (LNG) has become an increasingly important world energy resource and is a part of the European Union clean fuel strategy launched in 2013. Therefore, there are currently several ongoing measurement strategies considering quality specification of LNG. In this context, for application in gas engines, it is essential to understand the combustion behavior of these natural gas mixtures. The methane number (MN) which represents a scale for the knocking propensity, is one of the main indicators for this combustion behavior. In this study, we investigated the influence of the LNG composition on the ignition delay time and thus the knocking behavior of prototypical LNG Mixtures. Several LNG typical mixtures containing CH/CH/CH/n-CH/i-CH/n-CH/i-CH/N were studied in the temperature range 850–1450 K, with pressures of 20 and 40 bar and at equivalence ratios of 0.4 and 1.2. The use of a shock tube and a rapid compression machine facility allowed us to study the ignition behavior over a wide range of operating conditions relevant to gas engines. We report a detailed investigation of LNG autoignition with respect to temperature, pressure and equivalence ratio thereby providing crucial validation data for chemical kinetic models for real applications.

A new direct numerical simulation (DNS) code for multi-component gaseous reacting flows has been developed at KAUST, with the state-of-the-art programming model for next generation high performance computing platforms. The code, named KAUST Adaptive Reacting Flows Solver (KARFS), employs the MPI+X programming, and relies on Kokkos for “X” for performance portability to multi-core, many-core and GPUs, providing innovative software development while maintaining backward compatibility with established parallel models and legacy code. The capability and potential of KARFS to perform DNS of reacting flows with large, detailed reaction mechanisms is demonstrated with various model problems involving ignition and turbulent flame propagations with varying degrees of chemical complexities.

Fuel octane numbers are directly related to the autoignition properties of fuel/air mixtures in spark ignition (SI) engines. This work presents a methodology to estimate the research and the motor octane numbers (RON and MON) from homogeneous gas-phase ignition delay time (IDT) data calculated at various pressures and temperatures. The hypothesis under investigation is that at specific conditions of pressure and temperature (i.e., RON-like and MON-like conditions), fuels with IDT identical to that of a primary reference fuel (PRF) have the same octane rating. To test this hypothesis, IDTs with a detailed gasoline surrogate chemical kinetic model have been calculated at various temperatures and pressures. From this dataset, temperatures that best represent RON and MON have been correlated at a specified pressure. Correlations for pressures in the range of 10–50 bar were obtained. The proposed correlations were validated with toluene reference fuels (TRF), toluene primary reference fuels (TPRF), ethanol reference fuels (ERF), PRFs and TPRFs with ethanol, and multi-component gasoline surrogate mixtures. The predicted RON and MON showed satisfactory accuracy against measurements obtained by the standard ASTM methods and blending rules, demonstrating that the present methodology can be a viable tool for a first approximation. The correlations were also validated against an extensive set of experimental IDT data obtained from literature with a high degree of accuracy in RON/MON prediction. Conditions in homogeneous reactors such as shock tubes and rapid compression machines that are relevant to modern SI engines were also identified. Uncertainty analysis of the proposed correlations with linear error propagation theory is also presented.

In this work, a universal methodology for ignition delay time (IDT) correlation of multicomponent fuel mixtures is reported. The method is applicable over wide ranges of temperatures, pressures, and equivalence ratios. n-Heptane, iso-octane, toluene, ethanol and their blends are investigated in this study because of their relevance to gasoline surrogate formulation. The proposed methodology combines benefits from the Livengood-Wu integral, the cool flame characteristics and the Arrhenius behavior of the high-temperature ignition delay time to suggest a simple and comprehensive formulation for correlating the ignition delay times of pure components and blends. The IDTs of fuel blends usually have complex dependences on temperature, pressure, equivalence ratio and composition of the blend. The Livengood-Wu integral is applied here to relate the NTC region and the cool flame phenomenon. The integral is further extended to obtain a relation between the IDTs of fuel blends and pure components. Ignition delay times calculated using the proposed methodology are in excellent agreement with those simulated using a detailed chemical kinetic model for n-heptane, iso-octane, toluene, ethanol and blends of these components. Finally, very good agreement is also observed for combustion phasing in homogeneous charge compression ignition (HCCI) predictions between simulations performed with detailed chemistry and calculations using the developed ignition delay correlation.

A better understanding on the effects of fuel properties and injection timing is required to improve the performance of advanced engines based on low temperature combustion concepts. In this work, an experimental and computational study was conducted to investigate the effects of physical and chemical kinetic properties of low octane fuels and their surrogates in partially premixed compression ignition (PPCI) engines. The main objective was to identify the relative importance of physical versus chemical kinetic properties in predicting practical fuel combustion behavior across a range of injection timings. Two fuel/surrogate pairs were chosen for comparison: light naphtha (LN) versus the primary reference fuel (PRF) with research octane number of 65 (PRF 65), and FACE (fuels for advanced combustion engines) I gasoline versus PRF 70. Two sets of parametric studies were conducted: the first varied the amount of injected fuel mass at different injection timings to match a fixed combustion phasing, and the second maintained the same injected fuel mass at each injection timing to assess resulting combustion phasing changes. Full-cycle computational fluid dynamic engine simulations were conducted by accounting for differences in the physical properties of the original and surrogate fuels, while employing identical chemical kinetics. The simulations were found to capture trends observed in the experiments, while providing details on spatial mixing and chemical reactivity for different fuels and injection timings. It was found that differences in physical properties become increasingly important as injection timing was progressively delayed from premixed conditions, and this was rationalized by analysis of mixture stratification patterns resulting from injection of fuels with different physical properties. The results suggest that accurate descriptions of both physical and chemical behavior of fuels are critical in predictive simulations of PPCI engines for a wide range of injection timings.

Electric fields can be used to change and control flame properties, for example changing flame speed, enhancing flame stability, or reducing pollutant emission. The ions generated in flames are believed to play the primary role. Although experiments have been carried out to study electric field enhanced combustion, they are not sufficient to explain how the ions in a flame are affected by an electric field. It is therefore necessary to investigate the problem through numerical simulations. In the present work, the electric structure of stabilized CH4/air premixed flames at atmospheric pressure within a direct current field is studied using numerical simulations. This study consists of three parts. First, the transport equations are derived from the Boltzmann kinetic equation for each individual species. Second, a general method for computing the diffusivity and mobility of ions in a gas mixture is introduced. Third, the mechanisms for neutral and charged species are improved to give better predictions of the concentrations of charged species, based on experimental data. Following from this, comprehensive numerical results are presented, including the concentrations and fluxes of charged species, the distributions of the electric field and electric potential, and the electric current-voltage relation. Two new concepts introduced with the numerical results are the plasma sheath and dead zone in the premixed flame. A reactive plasma sheath and a Boltzmann relation sheath are discovered in the region near the electrodes. The plasma sheath penetrates into the flame gas when a voltage is applied, and penetrating further if the voltage is higher. The zone outside the region of sheath penetration is defined as the dead zone. With the two concepts, analytical solutions for the electric field, electric potential and current-voltage curve are derived. The solutions directly describe the electric structure of a premixed flame subject to a DC field. These analytical solutions, together with the discovery of the plasma sheath and dead zone in flames, are the novel contributions of this work.

A methodology for estimating the octane index (OI), the research octane number (RON) and the motor octane number (MON) using ignition delay times from a constant volume combustion chamber with liquid fuel injection is proposed by adopting an ignition quality tester. A baseline data of ignition delay times were determined using an ignition quality tester at a charge pressure of 21.3 bar between 770 and 850 K and an equivalence ratio of 0.7 for various primary reference fuels (PRFs, mixtures of isooctane and n-heptane). Our methodology was developed using ignition delay times for toluene reference fuels (mixtures of toluene and n-heptane). A correlation between the OI and the ignition delay time at the initial charge temperature enabled the OI of non-PRFs to be predicted at specified temperatures. The methodology was validated using ignition delay times for toluene primary reference fuels (ternary mixtures of toluene, iso-octane, and n-heptane), fuels for advanced combustion engines (FACE) gasolines, and certification gasolines. Using this methodology, the RON, the MON, and the octane sensitivity were estimated in agreement with values obtained from standard test methods. A correlation between derived cetane number and RON is also provided. (C) 2016 Elsevier Ltd. All rights reserved.

Improving the octane number of gasoline offers the potential of improved engine combustion, as it permits spark timing advancement without engine knock. This study proposes the use of terpineol as an octane booster for gasoline in a spark ignited (SI) engine. Terpineol is a bio-derived oxygenated fuel obtained from pine tree resin, and has the advantage of higher calorific value than ethanol. The ignition delay time (IDT) of terpineol was first investigated in an ignition quality tester (IQT). The IQT results demonstrated a long ignition delay of 24.7 ms for terpineol and an estimated research octane number (RON) of 104, which was higher than commercial European (Euro V) gasoline. The octane boosting potential of terpineol was further investigated by blending it with a non-oxygenated gasoline (FACE F), which has a RON (94) lower than Euro V gasoline (RON = 97). The operation of a gasoline direct injection (GDI) SI engine fueled with terpineol-blended FACE F gasoline enabled spark timing advancement and improved engine combustion. The knock intensity of FACE F + 30% terpineol was lower than FACE F gasoline at both maximum brake torque (MBT) and knock limited spark advance (KLSA) operating points. Increasing proportions of terpineol in the blend caused peak heat release rate, in-cylinder pressure, CA50, and combustion duration to be closer to those of Euro V gasoline. Furthermore, FACE F + 30% terpineol displayed improved combustion characteristics when compared to Euro V gasoline. © 2016