Calculations of evaporation characteristics (distillation curve, two-phase diagram, and critical points) of surrogates are described in detail. The efficiency of some surrogate blends, represented in literature, in reflecting the evaporation characteristics was analyzed. Based on the analysis, the chemical capabilities of surrogate models are not linked to their abilities to reflect the phase-equilibrium properties of real fuel. It is shown that model design of practical fuels must include the phase-equilibrium and distillation curve calculations. A surrogate mixture was selected, which closely matches the boiling-point curve and two-phase diagram for jet-A. Next, physical properties of reference fuel were taken into consideration: combustion enthalpy, formation enthalpy, molar weight, approximate formula (carbon per hydrogen ratio), sooting tendency index, critical point, two-phase diagram, and distillation curve.
Issue Section:
Gas Turbines: Combustion, Fuels, and Emissions
Keywords:
combustion,
distillation,
enthalpy,
evaporation,
fuel,
phase diagrams,
phase equilibrium,
reaction kinetics
1.
Bacha
, J.
, Barnes
, F.
, Franklin
, M.
, Gibbs
, L.
, Hemighaus
, G.
, Hogue
, N.
, Lesnini
, D.
, Lind
, J.
, Maybury
, J.
, and Morris
, J.
, 2000, Aviation Fuels Technical Review (FTR-3)
, Chevron Products Company
, San Ramon, CA
.2.
Dagaut
, P.
, and Cathonnet
, M.
, 2006, “The Ignition, Oxidation, and Combustion of Kerosene: A Review of Experimental and Kinetic Modeling
,” Prog. Energy Combust. Sci.
0360-1285, 32
, pp. 48
–92
.3.
Farrell
, J. T.
, Cernansky
, N. P.
, and Dryer
, F. L.
, 2007, “Development of an Experimental Database and Kinetic Models for Surrogate Diesel Fuels
,” SAE International Paper No. 2007-01-0201.4.
Pitz
, W. J.
, Cernansky
, N. P.
, Dryer
, F. L.
, Egolfopoulos
, F. N.
, Farrell
, J. T.
, Friend
, D.
, and Pitsch
, H.
, 2007, “Development of an Experimental Database and Chemical Kinetic Models for Surrogate Gasoline Fuels
,” SAE International Paper No. 2007-01-0175.5.
Colket
, M.
, Edwards
, T.
, Williams
, S.
, Cernansky
, N. P.
, Miller
, D. L.
, Egolfopoulos
, F.
, Lindstedt
, P.
, Seshadri
, K.
, Dryer
, F. L.
, Law
, C. K.
, Friend
, D.
, Lenhert
, D. B.
, Pitsch
, H.
, Sarofim
, A.
, Smooke
, M.
, and Tsang
, W.
, 2007, “Development of an Experimental Database and Kinetic Models for Surrogate Jet Fuels
,” 45th AIAA, Aerospace Sciences Meeting and Exhibit
, Reno, NV, Jan. 8–11, 2007, Paper No. AIAA 2007-770.6.
Colket
, M.
, Edwards
, T.
, Williams
, S.
, Cernansky
, N. P.
, Miller
, D. L.
, Egolfopoulos
, F.
, Dryer
, F. L.
, Bellan
, J.
, Lindstedt
, P.
, Seshadri
, K.
, Pitsch
, H.
, Sarofim
, A.
, Smooke
, M.
, and Tsang
, W.
, 2008, “Identification of Target Validation Data for Development of Surrogate Jet Fuels
,” 46th AIAA, Aerospace Sciences Meeting and Exhibit
, Reno, NV, Paper No. AIAA 2008-972.7.
Lindstedt
, P.
, and Maurice
, L. Q.
, 2000, “Detailed Chemical–Kinetic Model for Aviation Fuels
,” J. Propul. Power
0748-4658, 16
, pp. 187
–95
.8.
Edwards
, T.
, and Maurice
, L. Q.
, 2001, “Surrogate Mixtures to Represent Complex Aviation and Rocket Fuels
,” J. Propul. Power
0748-4658, 17
(2
), pp. 461
–466
.9.
Montgomery
, C. J.
, Cannon
, S. M.
, Mawid
, M. A.
, and Sekar
, B.
, 2002, “Reduced Chemical Kinetic Mechanisms for JP-8 Combustion
,” 40th AIAA, Aerospace Sciences Meeting and Exhibit
, Paper No. AIAA 2002-0336, pp. 1
–10
.10.
Violi
, A.
, Yan
, S.
, Eddings
, E. G.
, Sarofim
, A. F.
, Granata
, S.
, Favarelli
, T.
, and Ranzi
, E.
, 2002, “Experimental Formulation and Kinetic Model for JP-8 Surrogate Mixture
,” Combust. Sci. Technol.
0010-2202, 174
(11-12
), pp. 399
–417
.11.
Agosta
, A.
, Cernansky
, N. P.
, Miller
, D. L.
, Favarelli
, T.
, and Ranzi
, E.
, 2004, “Reference Components of Jet Fuels: Kinetic Modeling and Experimental Results
,” Exp. Therm. Fluid Sci.
0894-1777, 28
(7
), pp. 701
–708
.12.
Mawid
, M. A.
, Park
, T. W.
, Sekar
, B.
, and Arana
, C.
, 2004, “Importance of Surrogate JP-8/Jet-A Fuel Composition in Detailed Chemical Kinetics Development
,” 40th Joint Propulsion Conference and Exhibit
, Fort Lauderdale, FL, Jul. 11–14, 2004, Paper No. AIAA 2004-4207.13.
Polling
, B. E.
, Prausnitz
, J. M.
, and O’Connell
, J. P.
, 2001, The Properties of Gases and Liquids
, McGraw-Hill
, New York
.14.
Kravchenko
, A. P.
, Tsodikov
, Yu. M.
, and Chinakal
, V. O.
, 1974, “Construction of Models With Variable Coefficients for Atmospheric and Atmospheric-Vacuum Pipestill Units With Allowance for Quality Indices
,” Khimiya i Tekhnologiya Topliv i Masel
, 3
, pp. 5
–7
.15.
de Oliveira
, F. S.
, Teixeira
, L. S. G.
, Araujo
, M. C. U.
, and Korn
, M.
, 2004, “Screening Analysis to Detect Adulterations in Brazilian Gasoline Samples Using Distillation Curves
,” Fuel
0016-2361, 83
, pp. 917
–923
.16.
Smith
, B. L.
, and Bruno
, T. J.
, 2007, “Improvements in the Measurement of Distillation Curves. 3. Application to Gasoline and Gasoline+Methanol Mixtures
,” Ind. Eng. Chem. Res.
0888-5885, 46
, pp. 297
–309
.17.
Huber
, M. L.
, Smith
, B. L.
, Ott
, L. S.
, and Bruno
, T. J.
, 2008, “Surrogate Mixture Model for the Thermophysical Properties of Synthetic Aviation Fuel S-8: Explicit Application of the Advanced Distillation Curve
,” Energy Fuels
0887-0624, 22
, pp. 1104
–1114
.18.
Sandler
, S. I.
, 1994, Models for Thermodynamic and Phase Equilibria Calculations
, Marcel Dekker
, New York
.19.
Wei
, Y. S.
, and Sadus
, R. J.
, 2000, “Equations of State for the Calculation of Fluid-Phase Equilibria
,” AIChE J.
0001-1541, 46
(1
), pp. 169
–196
.20.
Martin
, J. J.
, 1979, “Cubic Equations of State-Which?
,” Ind. Eng. Chem. Fundam.
0196-4313, 18
(2
), pp. 81
–97
.21.
Trebble
, M. A.
, and Bishnoi
, P. R.
, 1986, “Accuracy and Consistency Comparisons of Ten Cubic Equations of State for Polar and Non-polar Compounds
,” Fluid Phase Equilib.
0378-3812, 29
, pp. 465
–474
.22.
Michelsen
, M.
, 1980, “Calculation of Phase Envelopes and Critical Points for Multicomponent Mixtures
,” Fluid Phase Equilib.
0378-3812, 4
, pp. 1
–10
.23.
Ott
, L. S.
, Smith
, B. L.
, and Bruno
, T. J.
, 2008, “Composition-Explicit Distillation Curves of Mixtures of Diesel Fuel With Biomass-Derived Glycol Ester Oxygenates: A Fuel Design Tool for Decreased Particulate Emissions
,” Energy Fuels
0887-0624, 22
, pp. 2518
–2526
.24.
Bugorkova
, L. N.
, Burova
, M. O.
, Kvasova
, V. A.
, Leont'eva
, S. A.
, Yanovskii
, S. M.
, and Demidenko
, K. A.
, 1988, “Distillation of Petroleum Crudes and Products by “Chromadistillation” Method
,” Khimiya i Tekhnologiya Topliv i Masel
, 7
, pp. 36
–37
.25.
Span
, R.
, and Wagner
, W.
, 2003, “Equations of State for Technical Applications. I. Simultaneously Optimized Functional Forms for Nonpolar and Polar Fluids
,” Int. J. Thermophys.
0195-928X, 24
(1
), pp. 1
–39
.26.
Prausnitz
, J. M.
, Lichtenhaler
, R. N.
, and Azevedo
, E. G.
, 1999, “Molecular Thermodynamic of Fluid-Phase Equilibria
,” 3rd ed., Prentice-Hall
, Upper Saddle River, NJ
.27.
Adachi
, Y.
, and Sugie
, H.
, 1986, “A New Mixing Rule-Modified Conventional Mixing Rule
,” Fluid Phase Equilib.
0378-3812, 28
, pp. 103
–118
.28.
Panagiotopoulos
, A. Z.
, and Reid
, R. C.
, 1982, “New Mixing Rule for Cubic Equation of State for Highly Polar, Asymmetric Systems
,” Equation of State-Theories and Applications, ACS Symposium Series
, Vol. 300
, K. C.
Chao
and R. L.
Robinson
, eds., pp. 571
–582
; see http://pubs.acs.org/doi/abs/10.1021/bk-1986-0300.ch028http://pubs.acs.org/doi/abs/10.1021/bk-1986-0300.ch028.29.
Stryjek
, R.
, and Vera
, J. H.
, 1986, “PRSV: An Improved Peng-Robinson Equation of State for Pure Compounds and Mixtures
,” Can. J. Chem. Eng.
0008-4034, 64
, pp. 323
–333
.30.
Stryjek
, R.
, and Vera
, J. H.
, 1986, “PRSV: An Improved Peng-Robinson Equation of State With New Mixing Rules for Strongly Non Ideal Mixtures
,” Can. J. Chem. Eng.
0008-4034, 64
, pp. 334
–340
.31.
Schwartzentruber
, J.
, Galivel-Solastiouk
, F.
, and Renon
, H.
, 1987, “Representation of the Vapor-Liquid Equilibrium of the Ternary System Carbon Dioxide-Propane-Methanol and Its Binaries With a Cubic Equation of State: A New Mixing Rule
,” Fluid Phase Equilib.
0378-3812, 38
, pp. 217
–226
.32.
Sandoval
, R.
, Wilczek-Vera
, G.
, and Vera
, J. H.
, 1989, “Prediction of Ternary Vapour-Liquid Equilibria With the PRSV Equation of State
,” Fluid Phase Equilib.
0378-3812, 52
, pp. 119
–126
.33.
Michelsen
, M.
, 1982, “The Isothermal Flash Problem. Part II. Phase Split Calculation
,” Fluid Phase Equilib.
0378-3812, 9
, pp. 21
–40
.34.
Asselineau
, L.
, Bogdanic
, G.
, and Vidal
, J. A.
, 1979, “Versatile Algorithm for Calculating Vapour-Liquid Equilibria
,” Fluid Phase Equilib.
0378-3812, 3
, pp. 273
–290
.35.
Heidemann
, R. A.
, and Khalil
, A. M.
, 1980, “The Calculation of Critical Points
,” AIChE J.
0001-1541, 26
(5
), pp. 769
–779
.36.
Michelsen
, M. L.
, and Heidemann
, R. A.
, 1981, “Calculation of Critical Points From Cubic Two-Constant Equations of State
,” AIChE J.
0001-1541, 27
(3
), pp. 521
–523
.37.
Richon
, D.
, Laugler
, S.
, and Renon
, H.
, 1991, “High-Pressure Vapor-Liquid Equilibria for Binary Mixtures Containing a Light Paraffin and an Aromatic Compound or a Naphthene in the Range 313–473 K
,” J. Chem. Eng. Data
0021-9568, 36
, pp. 104
–111
.38.
Jangkamolkulchai
, A.
, and Luks
, K. D.
, 1989, “Partial Miscibility Behavior of the Methane+Ethane+n-Docosane and the Methane+Ethane+n-Tetradecylbenzene Ternary Mixtures
,” J. Chem. Eng. Data
0021-9568, 34
, pp. 92
–99
.39.
Laugier
, S.
, and Richon
, D.
, 1995, “Vapor-Liquid Equilibria for Hydrogen Sulfide+Hexane, +Cyclohexane, +Benzene, +Pentadecane, and +(Hexane+Pentadecane)
,” J. Chem. Eng. Data
0021-9568, 40
, pp. 153
–159
.40.
Boukouvalas
, C. J.
, Magoulas
, K. G.
, Stamataki
, S. K.
, and Tassios
, D. P.
, 1997, “Prediction of Vapor-Liquid Equilibria With the LCVM Model: Systems Containing Light Gases With Medium and High Molecular Weight Compounds
,” Ind. Eng. Chem. Res.
0888-5885, 36
, pp. 5454
–5460
.41.
Hissong
, D. W.
, 1968, “A Thermodynamic Analysis of the Critical Properties of Hydrocarbon Mixtures
,” Ph.D. thesis, Ohio State University, OH.42.
Olds
, R. H.
, Reamer
, H. H.
, Sage
, B. H.
, and Lacey
, W. N.
, 1949, “Phase Equilibria in Hydrocarbon Systems: The n-Butane-Carbon Dioxide System
,” Ind. Eng. Chem.
0019-7866, 41
(3
), pp. 475
–482
.43.
Lemmon
, E. W.
, Huber
, M. L.
, and McLinden
, M. O.
, 2007, “NIST Standard Reference Database 23: Reference Fluid Thermodynamic and Transport Properties-refprop, Version 8.0
,” National Institute of Standards and Technology, Standard Reference Data Program, Gaithersburg.44.
Mawid
, M. A.
, and Sekar
, B.
, 2006, “Development of a Detailed JP-8/Jet-A Chemical Kinetic Mechanism for High Pressure Conditions in Gas Turbine Combustors
,” ASME
Paper No. GT2006-90478.45.
Schulz
, W. D.
, 1993, “Static Tests of Jet Fuel Thermal and Oxidative Stability
,” J. Propul. Power
0748-4658, 9
(1
), pp. 5
–9
.46.
Gauthier
, B. M.
, Davidson
, D. F.
, and Hanson
, R. K.
, 2004, “Shock Tube Determination of Ignition Delay Times in Full-Blend and Surrogate Fuel Mixtures
,” Combust. Flame
0010-2180, 139
, pp. 300
–311
.47.
Slavinskaya
, N. A.
, Haidn
, O. J.
, Donato
, F.
, and Aigner
, M.
, 2006, “Modeling of Reference Fuel Combustion With PAH Formation
,” 44th Aerospace Science Meeting and Exhibit
, Reno, NV, Paper No. AIAA-2006-1511.Copyright © 2010
by American Society of Mechanical Engineers
You do not currently have access to this content.
