Dataset Information

Application of the Advanced Distillation Curve Method to the Comparison of Diesel Fuel Oxygenates: 2,5,7,10-Tetraoxaundecane (TOU), 2,4,7,9-Tetraoxadecane (TOD), and Ethanol/Fatty Acid Methyl Ester (FAME) Mixtures.

ABSTRACT: Although they are amongst the most efficient engine types, compression-ignition engines have difficulties achieving acceptable particulate emission and NOx formation. Indeed, catalytic after-treatment of diesel exhaust has become common and current efforts to reformulate diesel fuels have concentrated on the incorporation of oxygenates into the fuel. One of the best ways to characterize changes to a fuel upon the addition of oxygenates is to examine the volatility of the fuel mixture. In this paper, we present the volatility, as measured by the advanced distillation curve method, of a prototype diesel fuel with novel diesel fuel oxygenates: 2,5,7,10-tetraoxaundecane (TOU), 2,4,7,9-tetraoxadecane (TOD), and ethanol/fatty acid methyl ester (FAME) mixtures. We present the results for the initial boiling behavior, the distillation curve temperatures, and track the oxygenates throughout the distillations. These diesel fuel blends have several interesting thermodynamic properties that have not been seen in our previous oxygenate studies. Ethanol reduces the temperatures observed early in the distillation (near ethanol's boiling temperature). After these early distillation points (once the ethanol has distilled out), B100 has the greatest impact on the remaining distillation curve and shifts the curve to higher temperatures than what is seen for diesel fuel/ethanol blends. In fact, for the 15% B100 mixture most of the distillation curve reaches temperatures higher than those seen diesel fuel alone. In addition, blends with TOU and TOD also exhibited uncommon characteristics. These additives are unusual because they distill over most the distillation curve (up to 70%). The effects of this can be seen both in histograms of oxygenate concentration in the distillate cuts and in the distillation curves. Our purpose for studying these oxygenate blends is consistent with our vision for replacing fit-for-purpose properties with fundamental properties to enable the development of equations of state that can describe the thermodynamic properties of complex mixtures, with specific attention paid to additives.

SUBMITTER: Burger JL

PROVIDER: S-EPMC5761680 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature

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Publications

Application of the Advanced Distillation Curve Method to the Comparison of Diesel Fuel Oxygenates: 2,5,7,10-Tetraoxaundecane (TOU), 2,4,7,9-Tetraoxadecane (TOD), and Ethanol/Fatty Acid Methyl Ester (FAME) Mixtures.

Burger Jessica L JL Lovestead Tara M TM LaFollette Mark M Bruno Thomas J TJ

Energy & fuels : an American Chemical Society journal 20170622 8

Although they are amongst the most efficient engine types, compression-ignition engines have difficulties achieving acceptable particulate emission and NO<sub>x</sub> formation. Indeed, catalytic after-treatment of diesel exhaust has become common and current efforts to reformulate diesel fuels have concentrated on the incorporation of oxygenates into the fuel. One of the best ways to characterize changes to a fuel upon the addition of oxygenates is to examine the volatility of the fuel mixture. ...[more]

PMID: 29332994

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Project description:In this work, military jet fuel JP-5 surrogates were formulated and tested in comparison to a nominal JP-5 fuel. Combustion experiments were conducted in an advanced engine technology (AET) ignition quality tester (IQT) and a Yanmar L100W Tier 4 diesel engine due to the potential use of jet fuel in diesel engines in military situations. The surrogate development process began with determining the fuel chemical composition based on analyses of 256 JP-5 fuel samples. The physical and chemical properties of density, viscosity, flash point, surface tension, speed of sound, and distillation behavior guided the selection of the surrogate components and their composition. JP-5 differs from other aviation fuels in its properties, but most importantly in flash point, which is higher for safety purposes. Surrogates were prepared from n-dodecane, n-butylbenzene, 1-methylnaphthalene, tetralin, trans-decalin, iso-cetane, and n-butylcyclohexane as representatives of seven of the nine major chemical categories found in jet fuel. The mass fraction of each compound in the surrogates that fell within the range for that chemical class was found in real JP-5 fuels. After optimizing the surrogates for physical and chemical properties, six surrogates were selected for combustion testing in the Yanmar diesel engine, one of which was specifically selected for a low-derived cetane number (DCN). This surrogate performed poorly in the Yanmar engine. Four of the remaining five surrogates performed similarly to the baseline JP-5 in the diesel engine in terms of values and variability of ignition delay, rate of heat release, peak pressure, and the crank angle at which 50% of the fuel is burned. Of the six surrogates tested, the best one in terms of physical properties, chemical properties, and combustion behavior was the one that contained 0.2421, 0.1503, 0.0500, 0.0141, 0.0121, 0.2532, and 0.2782 mass percentages of n-dodecane, n-butylbenzene, 1-methylnaphthalene, tetralin, trans-decalin, iso-cetane, and n-butylcyclohexane, respectively.

Project description:Commercial and military aviation is faced with challenges that include high fuel costs, undesirable emissions, and supply chain insecurity that result from the reliance on petroleum-based feedstocks. The development of alternative gas turbine fuels from renewable resources will likely be part of addressing these issues. The United States has established a target for one billion gallons of renewable fuels to enter the supply chain by 2018. These alternative fuels will have to be very similar in properties, chemistry, and composition to existing fuels. To further this goal, the National Jet Fuel Combustion Program (a collaboration of multiple U.S. agencies under the auspices of the Federal Aviation Administration, FAA) is coordinating measurements on three reference gas turbine fuels to be used as a basis of comparison. These fuels are reference fuels with certain properties that are at the limits of experience. These fuels include a low viscosity, low flash point, high hydrogen content "best case" JP-8 (POSF 10264) fuel, a relatively high viscosity, high flash point, low hydrogen content "worst case" JP-5 (POSF 10259) fuel, and a Jet-A (POSF 10325) fuel with relatively average properties. A comprehensive speciation of these fuels is provided in this paper by use of high resolution gas chromatography/quadrupole time-of-flight - mass spectrometry (GC/QToF-MS), which affords unprecedented resolution and exact molecular formula capabilities. The volatility information as derived from the measurement of the advanced distillation curve temperatures, Tk and Th, provides an approximation of the vapor liquid equilibrium and examination of the composition channels provides detailed insight into thermochemical data. A comprehensive understanding of the compositional and thermophysical data of gas turbine fuels is required not only for comparison but also for modeling of such complex mixtures, which will, in turn, aid in the development of new fuels with the goals of diversified feedstocks, decreased pollution, and increased efficiency.

Dataset Information

Application of the Advanced Distillation Curve Method to the Comparison of Diesel Fuel Oxygenates: 2,5,7,10-Tetraoxaundecane (TOU), 2,4,7,9-Tetraoxadecane (TOD), and Ethanol/Fatty Acid Methyl Ester (FAME) Mixtures.

Publications

Application of the Advanced Distillation Curve Method to the Comparison of Diesel Fuel Oxygenates: 2,5,7,10-Tetraoxaundecane (TOU), 2,4,7,9-Tetraoxadecane (TOD), and Ethanol/Fatty Acid Methyl Ester (FAME) Mixtures.

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