Development of Detailed and Reduced Kinetics Mechanisms for Surrogates of Petroleum-Derived and Synthetic Jet Fuels

2011 ◽  
Author(s):  
Fokion N. Egolfopoulos
Keyword(s):  
Author(s):  
P. Gokulakrishnan ◽  
M. S. Klassen ◽  
R. J. Roby

Ignition delay times of a “real” synthetic jet fuel (S8) were measured using an atmospheric pressure flow reactor facility. Experiments were performed between 900 K and 1200 K at equivalence ratios from 0.5 to 1.5. Ignition delay time measurements were also performed with JP8 fuel for comparison. Liquid fuel was prevaporized to gaseous form in a preheated nitrogen environment before mixing with air in the premixing section, located at the entrance to the test section of the flow reactor. The experimental data show shorter ignition delay times for S8 fuel than for JP8 due to the absence of aromatic components in S8 fuel. However, the ignition delay time measurements indicate higher overall activation energy for S8 fuel than for JP8. A detailed surrogate kinetic model for S8 was developed by validating against the ignition delay times obtained in the present work. The chemical composition of S8 used in the experiments consisted of 99.7 vol% paraffins of which approximately 80 vol% was iso-paraffins and 20% n-paraffins. The detailed kinetic mechanism developed in the current work included n-decane and iso-octane as the surrogate components to model ignition characteristics of synthetic jet fuels. The detailed surrogate kinetic model has approximately 700 species and 2000 reactions. This kinetic mechanism represents a five-component surrogate mixture to model generic kerosene-type jets fuels, namely, n-decane (for n-paraffins), iso-octane (for iso-paraffins), n-propylcyclohexane (for naphthenes), n-propylbenzene (for aromatics) and decene (for olefins). The sensitivity of iso-paraffins on jet fuel ignition delay times was investigated using the detailed kinetic model. The amount of iso-paraffins present in the jet fuel has little effect on the ignition delay times in the high temperature oxidation regime. However, the presence of iso-paraffins in synthetic jet fuels can increase the ignition delay times by two orders of magnitude in the negative temperature (NTC) region between 700 K and 900 K, typical gas turbine conditions. This feature can have a favorable impact on preventing flashback caused by the premature autoignition of liquid fuels in lean premixed prevaporized (LPP) combustion systems.


2014 ◽  
Vol 118 ◽  
pp. 41-47 ◽  
Author(s):  
Teresa A. Wierzbicki ◽  
Ivan C. Lee ◽  
Ashwani K. Gupta
Keyword(s):  

Author(s):  
Philippe Dagaut ◽  
Pascal Diévart

Research on the production and combustion of synthetic jet fuels has recently gained importance because of their potential for addressing security of supply and sustainable air transportation challenges. The combustion of a 100% naphtenic cut that fits with typical chemical composition of products coming from biomass or coal liquefaction (C12.64H23.64; M=175.32 g.mol−1; H/C=1.87; DCN=39; density=863.1 g.L−1) and a 50% vol. mixture with Gas to Liquid from Shell (mixture: C11.54H23.35; M=161.83 g.mol−1; H/C=2.02; DCN=46; density=800.3 g.L−1) were studied in a jetstirred reactor under the same conditions (temperature, 550–1150 K; pressure, 10 bar; equivalence ratio, 0.5, 1, and 2; initial fuel concentration, 1000 ppm). Surrogate model-fuels were designed based on fuel composition and properties for simulating the kinetics of oxidation of these fuels. We used new model-fuels consisting of mixtures of n-decane, decalin, tetralin, 2-methylheptane, 3-methylheptane, n-propyl cyclohexane, and n-propylbenzene. The detailed chemical kinetic reaction mechanism proposed was validated using the entire experimental database obtained in the present work and for the oxidation of pure GtL, we used previous results. Kinetic computations involving reaction paths analyses and sensitivity analyses were used to interpret the results.


Author(s):  
Charles L. Keesee ◽  
Bing Guo ◽  
Eric L. Petersen

Abstract New laminar flame speed experiments have been collected for multiple alternative liquid fuels. Understanding the combustion characteristics of these synthetic fuels is an important step in developing new chemical kinetics mechanisms that can be applied to real fuels. Included in this study are two synthetic Jet fuels: Syntroleum S-8 and Shell GTL. The precise composition of these fuels is known to change from sample to sample. Since these are low vapor pressure fuels, there are additional uncertainties in their introduction into gas-phase mixtures, leading to uncertainty in the mixture equivalence ratio. An in-situ laser absorption technique was implemented to verify the procedure for filling the vessel and to minimize and quantify the uncertainty in the experimental equivalence ratio. The diagnostic utilized a 3.39-μm HeNe laser in conjunction with Beer’s Law. The resulting spherically expanding flame experiments were conducted over a range of equivalence ratios from φ = 0.7 to φ = 1.5 at initial conditions of 1 atm and 403 K in the high-temperature, high-pressure constant-volume vessel at Texas A&M University. The experimental results show that both fuels have similar flame speeds with a peak value just under 60 cm/s. However, it is shown that when comparing the results from different data sets for these real fuels, equivalence ratio is not necessarily the best parameter to use. Fuel mole fraction may be a better parameter to use as it is independent of the average fuel molecule or fuel surrogate used to calculate equivalence ratio in these real fuel/air mixtures.


Energy ◽  
2012 ◽  
Vol 43 (1) ◽  
pp. 111-123 ◽  
Author(s):  
Th. Kick ◽  
J. Herbst ◽  
T. Kathrotia ◽  
J. Marquetand ◽  
M. Braun-Unkhoff ◽  
...  

Author(s):  
Shazib Z. Vijlee ◽  
John C. Kramlich ◽  
Ann M. Mescher ◽  
Scott D. Stouffer ◽  
Alanna R. O’Neil-Abels

The use of alternative/synthetic fuels in jet engines requires improved understanding and prediction of the performance envelopes and emissions characteristics relative to the behavior of conventional fuels. In this study, experiments in a toroidal well-stirred reactor (TWSR) are used to study lean premixed combustion temperature and extinction behavior for several fuels including simple alkanes, synthetic jet fuels, and conventional JP8. A perfectly stirred reactor (PSR) model is used to interpret the observed behavior. The first portion of the study deals with jet fuels and synthetic jet fuels with varying concentrations of added aromatic compounds. Synthetic fuels contain little or no natural aromatic species, so aromatic compounds are added to the fuel because fuel system seals require these species to function properly. The liquid fuels are prevaporized and premixed before being burned in the TWSR. Air flow is held constant to keep the reactor loading roughly constant. Temperature is monitored inside the reactor as the fuel flow rate is slowly lowered until extinction occurs. The extinction point is defined by both its equivalence ratio and temperature. The measured blowout point is very similar for all four synthetic fuels and the baseline JP8 at aromatic concentrations of up to 20% by volume. Since blowout is essentially the same for all the base fuels at low aromatic concentrations, a single fuel was used to test the effect of aromatic concentrations from 0 to 100%. PSR models of these complex fuels show the expected result that behavior diverges from an ideal, perfectly premixed model as the combustion approaches extinction. The second portion of this study deals with lean premixed combustion of simple gaseous alkanes (methane, ethane, and propane) in the same TWSR. These simpler fuels were tested for extinction in a similar manner to the complex fuels, and behavior was characterized similarly. Once again, PSR models show that the TWSR behaves similar to a PSR during stable combustion far from blowout, but as it approaches blowout and becomes less stable a single PSR no longer accurately describes the TWSR. This work is a step towards developing chemical reactor networks (CRNs) based on computational fluid dynamics (CFD) of the simple gaseous fuels in the TWSR. Ultimately, CRNs are the only realistic way to accurately perform detailed chemical modeling of the combustion of complex liquid fuels.


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