Javed, Tamour; Nasir, Ehson Fawad; Ahmed, Ahfaz; Badra, Jihad; Djebbi, Khalil; Beshir, Mohamed; Ji, Weiqi; Sarathy, Mani; Farooq, Aamir(Proceedings of the Combustion Institute, Elsevier BV, 2016-06-15)[Article]
Light naphtha is a fully blended, low-octane (RON. = 64.5, MON. = 63.5), highly paraffinic (>. 90% paraffinic content) fuel, and is one of the first distillates obtained during the crude oil refining process. Light naphtha is an attractive low-cost fuel candidate for advanced low-temperature compression ignition engines where autoignition is the primary control mechanism. We measured ignition delay times for light naphtha in a shock tube and a rapid compression machine (RCM) over a broad range of temperatures (640-1250. K), pressures (20 and 40. bar) and equivalence ratios (0.5, 1 and 2). Ignition delay times were modeled using a two-component primary reference fuel (PRF) surrogate and a multi-component surrogate. Both surrogates adequately captured the measured ignition delay times of light naphtha under shock tube conditions. However, for low-temperature RCM conditions, simulations with the multi-component surrogate showed better agreement with experimental data. These simulated surrogate trends were confirmed by measuring the ignition delay times of the PRF and multi-component surrogates in the RCM at . P = 20. bar, . ϕ = 2. Detailed kinetic analyses were undertaken to ascertain the dependence of the surrogates' reactivity on their chemical composition. To the best of our knowledge, this is the first fundamental autoignition study on the reactivity of a low-octane fully blended fuel and the use of a suitably formulated multi-component surrogate to model its behavior.
KHALED, Fethi; Badra, Jihad; Farooq, Aamir(Proceedings of the Combustion Institute, Elsevier BV, 2016-06-28)[Article]
Alkenes are known to be good octane boosters and they are major components of commercial fuels. Detailed theoretical calculations and direct kinetic measurements of elementary reactions of alkenes with combustion radicals are scarce for C4 alkenes and they are practically absent for C5 and larger alkenes. The overall rate coefficients for the reaction of OH radical with 1-butene (CH CHCH CH, k ), 1-pentene (CH CHCH CH-CH, k ), cis/trans 2-pentene (CH CHCHCH CH, k and k ), 1-hexene (CH CHCH CH CH CH, k ) and cis/trans 2-hexene (CH CHCHCH CH CH, k and k ) were measured behind reflected shock waves over the temperature range of 833-1377K and pressures near 1.5atm. The reaction progress was followed by measuring mole fraction of OH radicals near 306.7nm using UV laser absorption technique. It is found that the rate coefficients of OH+trans-2-alkenes are larger than those of OH+cis-2-alkenes, followed by OH+1-alkenes. The derived Arrhenius expressions for the overall rate coefficients (in cm.mol.s) are:. kI=(4.83±0.03)104.T2.72±0.01.exp(940.8±2.9cal/molRT)(946K-1256K) + kII=(5.66±0.54)10-1.T4.14±0.80.exp(4334±227cal/molRT)(875K-1379K) + kIII=(3.25±0.12)104.T2.76±0.5.exp(1962±83cal/molRT)(877K-1336K) + kIV=(3.42±0.09)104.T2.76±0.5.exp(1995±59cal/molRT)(833K-1265K) + kV=(7.65±0.58)10-4.T5±1.exp(5840±175cal/molRT)(836K-1387K) + kVI=(2.58±0.06)106.T2.17±0.37.exp(1461±55cal/molRT)(891K-1357K) + kVII=(3.08±0.05)106.T2.18±0.37.exp(1317±38cal/molRT)(881K-1377K) +
AlAbbad, Mohammed A.; Issayev, Gani; Badra, Jihad; Voice, Alexander K.; Giri, Binod; Djebbi, Khalil; Ahmed, Ahfaz; Sarathy, Mani; Farooq, Aamir(Combustion and Flame, Elsevier BV, 2017-11-24)[Article]
Naphtha, a low-octane distillate fuel, has been proposed as a promising low-cost fuel for advanced compression ignition engine technologies. Experimental and modelling studies have been conducted in this work to assess autoignition characteristics of naphtha for use in advanced engines. Ignition delay times of a certified straight-run naphtha fuel, supplied by Haltermann Solutions, were measured in a shock tube and a rapid comparison machine over wide ranges of experimental conditions (20 and 60 bar, 620–1223 K, ϕ = 0.5, 1 and 2). The Haltermann straight-run naphtha (HSRN) has research octane number (RON) of 60 and motor octane number (MON) of 58.3, with carbon range spanning C3–C9. Reactivity of HSRN was compared, via experiments and simulations, with three suitably formulated surrogates: a two-component PRF (n-heptane/iso-octane) surrogate, a three-component TPRF (toluene/n-heptane/iso-octane) surrogate, and a six-component surrogate. All surrogates reasonably captured the ignition delays of HSRN at high and intermediate temperatures. However, at low temperatures (T < 750 K), the six-component surrogate performed the best in emulating the reactivity of naphtha fuel. Temperature sensitivity and rate of production analyses revealed that the presence of cyclo-alkanes in naphtha inhibits the overall fuel reactivity. Zero-dimensional engine simulations showed that PRF is a good autoignition surrogate for naphtha at high engine loads, however, the six-component surrogate is needed to match the combustion phasing of naphtha at low engine loads.
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.
Gasoline anti-knock quality, defined by the research and motor octane numbers (RON and MON), is important for increasing spark ignition (SI) engine efficiency. Gasoline knock resistance can be increased using a number of blending components. For over two decades, ethanol has become a popular anti-knock blending agent with gasoline fuels due to its production from bio-derived resources. This work explores the oxidation behavior of two oxygenated certification gasoline fuels and the variation of fuel reactivity with molecular composition. Ignition delay times of Haltermann (RON = 91) and Coryton (RON = 97.5) gasolines have been measured in a high-pressure shock tube and in a rapid compression machine at three pressures of 10, 20 and 40 bar, at equivalence ratios of φ = 0.45, 0.9 and 1.8, and in the temperature range of 650–1250 K. The results indicate that the effects of fuel octane number and fuel composition on ignition characteristics are strongest in the intermediate temperature (negative temperature coefficient) region. To simulate the reactivity of these gasolines, three kinds of surrogates, consisting of three, four and eight components, are proposed and compared with the gasoline ignition delay times. It is shown that more complex surrogate mixtures are needed to emulate the reactivity of gasoline with higher octane sensitivity (S = RON–MON). Detailed kinetic analyses are performed to illustrate the dependence of gasoline ignition delay times on fuel composition and, in particular, on ethanol content.
Low-octane gasolines (RON ∼ 50–70 range) are prospective fuels for gasoline compression ignition (GCI) internal combustion engines. GCI technology utilizing low-octane fuels has the potential to significantly improve well-to-wheel efficiency and reduce the transportation sector's environmental footprint by offsetting diesel fuel usage in compression ignition engines. In this study, ignition delay times of two low-octane FACE (Fuels for Advanced Combustion Engines) gasolines, FACE I and FACE J, were measured in a shock tube and a rapid compression machine over a broad range of engine-relevant conditions (650–1200 K, 20 and 40 bar and ϕ = 0.5 and 1). The two gasolines are of similar octane ratings with anti-knock index, AKI = (RON + MON)/2, of ∼ 70 and sensitivity, S = RON–MON, of ∼ 3. However, the molecular compositions of the two gasolines are notably different. Experimental ignition delay time results showed that the two gasolines exhibited similar reactivity over a wide range of test conditions. Furthermore, ignition delay times of a primary reference fuel (PRF) surrogate (n-heptane/iso-octane blend), having the same AKI as the FACE gasolines, captured the ignition behavior of these gasolines with some minor discrepancies at low temperatures (T < 700 K). Multi-component surrogates, formulated by matching the octane ratings and compositions of the two gasolines, emulated the autoignition behavior of gasolines from high to low temperatures. Homogeneous charge compression ignition (HCCI) engine simulations were used to show that the PRF and multi-component surrogates exhibited similar combustion phasing over a wide range of engine operating conditions.
AlAbbad, Mohammed A.; Javed, Tamour; KHALED, Fethi; Badra, Jihad; Farooq, Aamir(Combustion and Flame, Elsevier BV, 2017-02-07)[Article]
Ignition delay times of four different primary reference fuels (PRF), mixtures of n-heptane and iso-octane, were measured behind reflected shock waves in a high-pressure shock tube facility. The PRFs were formulated to match the RON of two high-octane gasolines (RON 95 and 91) and two prospective low-octane naphtha fuels (RON 80 and 70). Experiments were carried out over a wide range of temperatures (700–1200K), pressures (10, 20, and 40bar) and equivalence ratios (0.5 and 1). Kinetic modeling predictions from four chemical kinetic mechanisms are compared with the experimental data. Ignition delay correlations are developed to reproduce the measured ignition delay times. Brute force sensitivity analyses are carried out to identify reactions that affect ignition delay times at specific temperature, pressure and equivalence ratio. The large experimental data set provided in the current work will serve as a benchmark for the validation of chemical kinetic mechanisms of primary reference fuel blends.
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