Surrogate Definition and Chemical Kinetic Modeling for Two Different Jet Aviation Fuels

For emulation of the chemical kinetic combustion phenomena and physical properties of S-8 POSF 4734 and Jet-A POSF 4658, two surrogate fuels were formulated by directly matching their molecular structure and functional groups. The same functional groups, CH3, CH2, CH, C, and phenyl, were chosen to formulate the S-8 and Jet-A surrogates with n-dodecane/2,5-dimethylhexane (0.581/0.419 mole fraction) and n-dodecane/2,5-dimethylhexane/toluene (0.509/0.219/0.272 mole fraction), respectively. The numerical results using the surrogate fuels were compared with the experimental data and the results predicted by other surrogate fuel formulation methods. The results show that the present method can formulate surrogate mixtures of both jet fuels and Fischer–Tropsch real fuels and reproduce the combustion characteristics in homogeneous ignition and the flow reactor oxidation process. The idea presented here could be extended to other real fuels with the appropriate choice of surrogate fuel components.

[1]  Yiguang Ju,et al.  The combustion kinetics of a synthetic paraffinic jet aviation fuel and a fundamentally formulated, experimentally validated surrogate fuel , 2012 .

[2]  Charles J. Mueller,et al.  Recent progress in the development of diesel surrogate fuels , 2009 .

[3]  William J. Pitz,et al.  An Approach for Formulating Surrogates for Gasoline with Application toward a Reduced Surrogate Mechanism for CFD Engine Modeling , 2011 .

[4]  Vincent Knop,et al.  Methodology to define gasoline surrogates dedicated to auto-ignition in engines , 2012 .

[5]  Tiziano Faravelli,et al.  Wide-Range Kinetic Modeling Study of the Pyrolysis, Partial Oxidation, and Combustion of Heavy n-Alkanes , 2005 .

[6]  Xiaolong Gou,et al.  A path flux analysis method for the reduction of detailed chemical kinetic mechanisms , 2010 .

[7]  Experimental and Kinetic Modeling Study of 3-Methylheptane in a Jet-Stirred Reactor , 2012 .

[8]  A. E. Elwardany,et al.  A comprehensive combustion chemistry study of 2,5-dimethylhexane , 2014 .

[9]  Thomas J. Bruno,et al.  Thermal Decomposition Kinetics of the Aviation Turbine Fuel Jet A , 2008 .

[10]  Perrine Pepiot,et al.  Automatic strategies to model transportation fuel surrogates , 2008 .

[11]  J. Bergthorson,et al.  An experimental and reduced modeling study of the laminar flame speed of jet fuel surrogate components , 2013 .

[12]  Nicholas P. Cernansky,et al.  Experimental investigation of surrogates for jet and diesel fuels , 2008 .

[13]  Thomas J. Bruno,et al.  Surrogate Mixture Models for the Thermophysical Properties of Aviation Fuel Jet-A , 2010 .

[14]  Thomas J. Bruno,et al.  Surrogate Mixture Model for the Thermophysical Properties of Synthetic Aviation Fuel S-8: Explicit Application of the Advanced Distillation Curve , 2008 .

[15]  Frederick L. Dryer,et al.  Comprehensive Detailed Chemical Kinetic Modeling Study of Toluene Oxidation , 2011 .

[16]  F. Dryer,et al.  Reduced kinetic models for the combustion of jet propulsion fuels , 2013 .

[17]  S. Benson,et al.  Additivity Rules for the Estimation of Molecular Properties. Thermodynamic Properties , 1958 .

[18]  Jason Martz,et al.  A surrogate for emulating the physical and chemical properties of conventional jet fuel , 2014 .

[19]  S. M. Sarathy,et al.  Ignition of non-premixed counterflow flames of octane and decane isomers , 2013 .

[20]  H. Curran,et al.  A Hierarchical and Comparative Kinetic Modeling Study of C1 − C2 Hydrocarbon and Oxygenated Fuels , 2013 .

[21]  Marina Braun-Unkhoff,et al.  Experimental and detailed kinetic model for the oxidation of a Gas to Liquid (GtL) jet fuel , 2014 .

[22]  Joshua S. Heyne,et al.  Importance of a Cycloalkane Functionality in the Oxidation of a Real Fuel , 2014 .

[23]  Heinz Pitsch,et al.  Development of an Experimental Database and Kinetic Models for Surrogate Diesel Fuels , 2007 .

[24]  Thomas A. Litzinger,et al.  Emulating the Combustion Behavior of Real Jet Aviation Fuels by Surrogate Mixtures of Hydrocarbon Fluid Blends: Implications for Science and Engineering , 2014 .

[25]  Tiziano Faravelli,et al.  Experimental formulation and kinetic model for JP-8 surrogate mixtures , 2002 .

[26]  Thomas A. Litzinger,et al.  A jet fuel surrogate formulated by real fuel properties , 2010 .

[27]  Chitralkumar V. Naik,et al.  Detailed chemical kinetic mechanism for surrogates of alternative jet fuels , 2011 .

[28]  S. M. Sarathy,et al.  Effects of fuel branching on the propagation of octane isomers flames , 2012 .

[29]  Rolf D. Reitz,et al.  Surrogate Model Development for Fuels for Advanced Combustion Engines , 2011 .

[30]  Tim Edwards,et al.  Surrogate Mixtures to Represent Complex Aviation and Rocket Fuels , 2001 .

[31]  Matthew A. Oehlschlaeger,et al.  Autoignition studies of conventional and Fischer–Tropsch jet fuels , 2012 .

[32]  Tianfeng Lu,et al.  Development and validation of an n-dodecane skeletal mechanism for spray combustion applications , 2014 .

[33]  S. M. Sarathy,et al.  Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20 , 2011 .

[34]  C. Westbrook.  Recent advances in chemical kinetics of jet fuels , 2014 .

[35]  Eric G. Eddings,et al.  FORMULATION OF A SURROGATE FOR THE SIMULATION OF JET FUEL POOL FIRES , 2005 .

[36]  An experimental and modeling study of the autoignition of 3-methylheptane , 2013 .

[37]  D. Golden,et al.  Additivity rules for the estimation of thermochemical properties , 1969 .

[38]  C. Rutland,et al.  Efficient Simulation of Diesel Engine Combustion Using Realistic Chemical Kinetics in CFD , 2010 .

[39]  Fokion N. Egolfopoulos,et al.  Detailed and simplified kinetic models of n-dodecane oxidation: The role of fuel cracking in aliphatic hydrocarbon combustion , 2009 .

[40]  Thomas A. Litzinger,et al.  The experimental evaluation of a methodology for surrogate fuel formulation to emulate gas phase combustion kinetic phenomena , 2012 .

[41]  Thomas J. Bruno,et al.  Methodology for Formulating Diesel Surrogate Fuels with Accurate Compositional, Ignition-Quality, and Volatility Characteristics , 2012 .

[42]  Thomas J. Bruno,et al.  Comparison of Biomass-Derived Turbine Fuels with the Composition-Explicit Distillation Curve Method , 2011 .

[43]  Yiguang Ju,et al.  The combustion properties of 2,6,10-trimethyl dodecane and a chemical functional group analysis , 2014 .

[44]  Murray J. Thomson,et al.  An experimental and kinetic modeling study of n-octane and 2-methylheptane in an opposed-flow diffusion flame , 2010 .

[45]  Tianfeng Lu,et al.  A counterflow diffusion flame study of branched octane isomers , 2013 .