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Thermodynamic, Transport, and Chemical Properties of “Reference”
JP-8 (F1ATA06004G004)
Thomas J. Bruno
Physical and Chemical Properties Division
National Institute of Standards and Technology
Boulder, CO
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National Institute of Standards and Technology
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NIST helps build the infrastructure for technological innovation.
We’re here to help you with problems related to measurement, standards, data, and technology.
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NIST Staff:
• Thomas J. Bruno, PI• Marcia Huber• Arno Laesecke• Eric Lemmon• Mark McLinden• Stephanie L. Outcalt• Richard Perkins• Beverly L. Smith
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Executive Summary:AFOSR-MIPR F1ATA06004G004
(3/1/06)
• Characterization of a real fuel: JP-8– i.e., chemical analysis, VLE, ρ, υ, λ, Cv,
• Standard reference measurement and modeling of fuel palette components.
• Develop a surrogate fluid model for real JP-8• Relation to the synthetic JP-8 (Fischer Tropsch
S-8 model)• Solubility characterization of additive species
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• We have examined:– 3 samples of Jet-A– 1 sample of a flightline JP-8– 1 sample of S-8
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• We have examined:– 3 samples of Jet-A– 1 sample of a flightline JP-8– 1 sample of S-8
• Related fluids:– 1 sample of CDF– 3 additional samples of FT fuels– 2 samples of bio-derived fuels
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• We have examined:– 3 samples of Jet-A – 1 sample of a flightline JP-8– 1 sample of S-8
• Related fluids:– 1 sample of CDF– 3 additional samples of FT fuels– 2 samples of bio-derived fuels
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While we must nail down ρ, υ, λ, Cv, etc. to develop a model,
• The volatility of critical importance,
• n-decane: ρ = 0.73 g/mL• n-hexadecane ρ = 0.77 g/mL
Granted, I’m hiding the temperature and pressure dependence, but there is not much difference with composition.
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ADC:• Practical way to measure VLE of complex fluids:
– temperatures are true thermodynamic state points– consistent with a century of historical data– temperature, volume and pressure measurements of low uncertainty –
EOS development– composition explicit data channel for qualitative, quantitative and
trace analysis of fractions– energy content of each fraction– corrosivity of each fraction– greenhouse gas output of each fraction– thermal and oxidative stability of the fluids
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230.0
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310.0
0 10 20 30 40 50 60 70 80 90 100Volume Fraction, %
Tem
pera
ture
,Tk,
C
Tk
FTIR
MS
SCD
corrosivity
Typical data suite for an aviation fuel:
ΔHc
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Compressed Liquid Densimeter
• Temperature range: –20 to 200° C
Pressure range: 0 MPa to 100 MPa
Density range: 0 – 3000 kg/m3
Approved for public release; distribution unlimited.
1050
1100
1150
1200
1250
1300
1350
1400
270 280 290 300 310 320 330 340 350
Jet-A-3602
Jet-A-3638
Jet-A-4658
S-8
w / m·s-1
T / K
Speed of sound data of jet fuels as a function of temperature at ambient pressure.
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600
650
700
750
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900
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1050
1100
1150
1200
270 280 290 300 310 320 330 340 350
Jet-A-3602
Jet-A-3638
Jet-A-4658
S-8
κs / (TPa-1)
T / K
Adiabatic compressibility data of jet fuels as a function of temperature at ambient pressure.
Approved for public release; distribution unlimited.
0.6
0.8
1.0
1.2
1.4
1.6
1.8
290 300 310 320 330 340 350 360 370 380
JP-8 3773 flightline
ν / mm2·s-1
T / K
Kinematic viscosity data of jet fuel JP-8 3773 flightline as a function of temperature at ambient pressure.
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Hot Wire Thermal Conductivity Apparatus
R1 R3
R2 R4
LongHotWire
ShortHotWire
Ground
PowerSupply
DummyLoadResistance
Main Power Relay
Bridge
+V/2
−V/2
Hot−Wire
Cell Wall
ImbalanceVoltage
−
+
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Thermal Conductivity of Jet A (4658)
0.080
0.085
0.090
0.095
0.100
0.105
0.110
0.115
0.120
0.125
0.00 5.00 10.00 15.00 20.00 25.00 30.00 35.00 40.00 45.00 50.00
P / MPa
λ /
W. m
-1K
-1 300 K320 K340 K360 K380 K400 K420 K440 K460 K480 K500 K
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Thermal Conductivity of JP-8
0.075
0.080
0.085
0.090
0.095
0.100
0.105
0.110
0.115
0.120
0.125
0.130
0.135
0 10 20 30 40 50 60 70
ρ / kg.m-3
λ /
W. m
-1K
-1
300 K355 K405 K452 K496 K547 K
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Now, to turn all of this into an Equation of State!
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Why should Joe the Plumber care about
equations of State?
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EOS Characteristics
All calculate pressure as a function of density and temperature, except for the Helmholtz energy
YesLowVery High√√√Helmholtz
YesMedHigh√√√BWRs
YesMedModerate√Virials
NoHighModerate√√√Cubics
NoHighLow√√√vdW
NoHighLow√Ideal gas law
IterationSpeedAccuracyCritical region
Liquid Phase
Vapor Phase
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All thermodynamic properties can be calculated as derivates from each of the four fundamental equations:Internal energy as a function of density and entropy
Entropy is not a measurable quantity.Enthalpy as a function of pressure and entropy
Entropy is not a measurable quantity. Cannot have a continuous equation across the phase boundary.
Gibbs energy as a function of pressure and temperatureCannot have a continuous equation across the phase boundary.
Helmholtz energy as a function of temperature and densityBoth temperature and density are measurable. Continuous across two-phase region.
Types of fundamental equations
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All thermodynamic properties can be calculated as derivates from each of the four fundamental equations:Enthalpy as a function of pressure and entropy
Entropy is not a measurable quantity. Cannot have a continuous equation across the phase boundary.
Gibbs energy as a function of pressure and temperatureCannot have a continuous equation across the phase boundary.
Helmholtz energy as a function of temperature and densityBoth temperature and density are measurable. Continuous across two-phase region.
Types of fundamental equations
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All thermodynamic properties can be calculated as derivates from each of the four fundamental equations:Gibbs energy as a function of pressure and temperature
Cannot have a continuous equation across the phase boundary.Helmholtz energy as a function of temperature and density
Both temperature and density are measurable. Continuous across two-phase region.
Internal energy as a function of density and entropyEntropy is not a measurable quantity.
Enthalpy as a function of pressure and entropyEntropy is not a measurable quantity. Cannot have a continuous equation across the phase boundary.
Types of fundamental equations
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All thermodynamic properties can be calculated as derivates from each of the four fundamental equations:Helmholtz energy as a function of temperature and density
Both temperature and density are measurable. Continuous across two-phase region.
Internal energy as a function of density and entropyEntropy is not a measurable quantity.
Enthalpy as a function of pressure and entropyEntropy is not a measurable quantity. Cannot have a continuous equation across the phase boundary.
Gibbs energy as a function of pressure and temperatureCannot have a continuous equation across the phase boundary.
Types of fundamental equations
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Given density and temperature, all other properties can be calculatedIterative solutions required given input conditions of pressure and temperature; pressure and enthalpy; pressure and entropy; saturation temperature; vapor pressure; etc.
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TemperaturePressureDensityHeat capacitySpeed of soundEnergyEntropyEnthalpyFugacitySecond virial coefficientJoule-Thomson coefficient
Volume expansivityCompressibilityVapor-liquid equilibrium
*** Cannot calculate viscosity and thermal conductivity ***
Properties calculated from an EOS
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www.nist.gov/srd/nist23.htm90 pure fluidsMixtures with up to 20 componentsAll thermodynamic and transport propertiesTable and plot generationFluid search menu
REFPROP program
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0.080
0.085
0.090
0.095
0.100
0.105
0.110
0.115
0.120
0.125
0.00 5.00 10.00 15.00 20.00 25.00 30.00 35.00 40.00 45.00 50.00
P / MPa
λ /
W. m
-1K
-1 300 K320 K340 K360 K380 K400 K420 K440 K460 K480 K500 K
R1 R3
R2 R4
LongHotWire
ShortHotWire
Ground
PowerSupply
DummyLoadResistance
Main Power Relay
Bridge
+V/2
−V/2
Hot−Wire
Cell Wall
ImbalanceVoltage
−
+
Thermal Conductivity of Jet A (4658) Three samples of Jet-A, and S-8:
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• In prior years, we would start with density, then add fits to the other properties
• Now, we start with a chemical analysis, then the volatility (ADC), then add density and the rest of the mix
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0 20 40 60 80 100
Distillate Volume Fraction, %
Tem
pera
ture
, °C
experimental data, Bruno 2006
7 component surrogate, Huber et al 2008
10 component surrogate, Bruno 2006
So, what if I ignore the volatility (i.e., the distillation curve)?
Volatility of S-8
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460
465
470
475
480
485
490
495
500
505
510
515
0 20 40 60 80 100
Distillate Volume Fraction, %
Tem
pera
ture
, K
Experimental DataPredicted by Surrogate Model
And predictively, for JP-900
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The Surrogate Mixtures:
0.1400.199tetralin
0.1200.055ortho-xylene
0.0000.030n-hecadecane
0.0270.068n-tetradecane
0.3470.1642-methyldecane
0.0680.1485-methylnonane
0.0140.081methyldecalin
0.0000.255heptylcyclohexane
0.2750.000hexylcyclohexane
0.0090.000propylcylcohexane
Jet-A-3638, mole fraction
Jet-A-4658, mole fraction
Fluid Name
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The Surrogate Mixtures:
0.1400.199tetralin
0.1200.055ortho-xylene
0.0000.030n-hecadecane
0.0270.068n-tetradecane
0.3470.1642-methyldecane
0.0680.1485-methylnonane
0.0140.081methyldecalin
0.0000.255heptylcyclohexane
0.2750.000hexylcyclohexane
0.0090.000propylcylcohexane
Jet-A-3638, mole fraction
Jet-A-4658, mole fraction
Fluid Name
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The Surrogate Mixtures:
0.1400.199tetralin
0.1200.055ortho-xylene
0.0000.030n-hecadecane
0.0270.068n-tetradecane
0.3470.1642-methyldecane
0.0680.1485-methylnonane
0.0140.081methyldecalin
0.0000.255heptylcyclohexane
0.2750.000hexylcyclohexane
0.0090.000propylcylcohexane
Jet-A-3638, mole fraction
Jet-A-4658, mole fraction
Fluid Name
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The Surrogate Mixtures:
0.1400.199tetralin
0.1200.055ortho-xylene
0.0000.030n-hecadecane
0.0270.068n-tetradecane
0.3470.1642-methyldecane
0.0680.1485-methylnonane
0.0140.081methyldecalin
0.0000.255heptylcyclohexane
0.2750.000hexylcyclohexane
0.0090.000propylcylcohexane
Jet-A-3638, mole fraction
Jet-A-4658, mole fraction
Fluid Name
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The Surrogate Mixtures:
0.1400.199tetralin
0.1200.055ortho-xylene
0.0000.030n-hecadecane
0.0270.068n-tetradecane
0.3470.1642-methyldecane
0.0680.1485-methylnonane
0.0140.081methyldecalin
0.0000.255heptylcyclohexane
0.2750.000hexylcyclohexane
0.0090.000propylcylcohexane
Jet-A-3638, mole fraction
Jet-A-4658, mole fraction
Fluid Name
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Density:
720
740
760
780
800
820
840
250 270 290 310 330 350 370 390Temperature, K
ρ, k
g/m
3
Jet A-3638Jet A-46583638 model4658 model
p=83 kPa
1.5 % difference
Samples differ by 1.5 %
Fit is to 0.1 %
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Speed of Sound:
1100
1150
1200
1250
1300
1350
1400
250 270 290 310 330 350Temperature, K
Soun
d Sp
eed,
m/s
Jet A-3638Jet A-46583638 model4658 model
p=83 kPa
We overpredict by 1 - 3 %
Samples differ by 3.5 %
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Viscosity:
0
500
1000
1500
2000
2500
3000
3500
200 250 300 350 400Temperature, K
Visc
osity
, uPa
.s
Jet A-3638Jet A-46583638 model4658 model
p-83 kPa
Samples differ by 20 %
Fit is to 3 %
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Thermal Conductivity:
-5
-4
-3
-2
-1
0
1
2
3
4
300 350 400 450 500 550
Temperature, K
100*
( kca
lc- k
exp)
/ kex
p
3638 model4658 model
Fits are 0 – 4 %
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Volatility (ADC):
440
450
460
470
480
490
500
510
520
530
0 0.2 0.4 0.6 0.8 1
Volume fraction
Tem
pera
ture
, K
Jet A-3638Jet A-46583638 model4658 model
p=83 kPa
Samples differ by up to 30 oC
Fit is to 0.2 oC
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Conclusions:
• For most properties, the surrogate models for the “reference JP-8 (Jet-A) represent measurements to experimental uncertainty
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Conclusions:
• For most properties, the surrogate models for the “reference JP-8 (Jet-A) represent measurements to experimental uncertainty
• When we are outside of experimental uncertainty, the models are as close as any we have done for complex fluids
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• But, in some ways, we generate even more questions:– The “reference” Jet-A is 4658, an extremum in
all properties
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0 10 20 30 40 50 60 70 80 90Volume Fraction, %
Tem
pera
ture
(o C)
363836024658S-8
Recall the ADC measurements:
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Jet A, S-8
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0 10 20 30 40 50 60 70 80 90Volume Fraction, %
Tem
pera
ture
(o C)
363836024658S-8
Approved for public release; distribution unlimited.
Jet A, S-8
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0 10 20 30 40 50 60 70 80 90Volume Fraction, %
Tem
pera
ture
(o C)
363836024658S-8
This one
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Jet A, S-8
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0 10 20 30 40 50 60 70 80 90Volume Fraction, %
Tem
pera
ture
(o C)
363836024658S-8
This one
And this one
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6800
7000
7200
7400
7600
7800
8000
8200
8400
Jet A-3638 S-8 Jet A-3602 Jet A-4658
Enth
alpy
of C
ombu
stio
n, k
J/m
olRecall, the energy content difference:
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• The specs of Jet-A, JP-8 are so wide, we need a separate model for each sample
or,
• we need a composition-tunable model, the “dial” for which must be an easily measured property
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• We are working on such an approach for RP-1, where the variability is:– probably not as large– but, currently not nailed down
• Such a follow-on effort will likely be needed for JP-8
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Documentation:• Bruno, T.J., Method and apparatus for precision on-line sampling of distillate, Sep. Sci. Tech., 41, 309-
314, 2006.
• Bruno, T.J., Improvements in the measurement of distillation curves. 1. a composition explicit approach, Ind. Eng. Chem. Res., 45, 4371-4380, 2006
• Bruno, T.J., Smith, B.L., Improvements in the measurement of distillation curves. 2. application to aerospace/aviation fuels RP-1 and S-8, Ind. Eng. Chem. Res., 45, 4381-4388, 2006.
• Smith, B.L., Bruno, T.J., Advanced distillation curve measurement with a model predictive temperature controller, Int. J. Thermophys., 27, 1419-1434, 2006.
• Bruno, T.J., Smith, B.L., Heat of combustion of fuels as a function of distillate cut: application of an advanced distillation curve method, Energy and Fuels, 20, 2109-2116, 2006.
• Bruno, T.J., Huber, M.L., Laesecke, A, Lemmon, E.W., Perkins, R.A., Thermochemical and thermophysical properties of JP-10, NIST-IR 6640, National Institute of Standards and Technology (U.S.), 2006.
• Bruno, T.J., The properties of S-8, Final Report for MIPR F4FBEY6237G001, Air Force Research Laboratory, 2006.
• Bruno, T.J., Laesecke, A. Outcalt, S.L., Seelig, H.-D., Smith, B.L., Properties of a 50/50 Mixture of Jet-A + S-8, NIST-IR-6647, March, 2007.
• Smith, B.L., Bruno, T.J., Improvements in the measurement of distillation curves: part 3 - application to gasoline and gasoline + methanol mixtures, Ind. Eng. Chem. Res., 46, 297-309, 2006.
• Smith, B.L., Bruno, T.J., Improvements in the measurement of distillation curves: part 4- application to the aviation turbine fuel Jet-A, Ind. Eng. Chem. Res., 310-320, 2006.
Approved for public release; distribution unlimited.
More Documentation:• Smith, B.L., Bruno, T.J., Composition-explicit distillation curves of aviation fuels JP-8 and the coal-based
JP-900, Energy and Fuels, 21, 2853-2862, 2007.
• Smith, B.L., Bruno, T.J., Application of a composition-explicit distillation curve metrology to mixtures of Jet-A + synthetic Fischer-Tropsch S-8, J. Propuls. Power, 24(3), 618-623, 2008.
• Ott, L.S., Smith, B.L., Bruno, T.J., Experimental test of the Sydney Young equation for the presentation of distillation curves, J. Chem. Thermodynam., 40, 1352-1357, 2008.
• Huber, M.L., Smith, B.L., Ott, L.S., Bruno, T.J., Surrogate Mixture Model for the Thermophysical Properties of Synthetic Aviation Fuel S-8: Explicit Application of the Advanced Distillation Curve. Energy & Fuels, 22, 1104 – 1114, 2008.
• Huber, M.L., Lemmon, E.W., Diky, V, Smith, B.L., Bruno, T.J., Chemically authentic surrogate mixture model for the thermophysical properties of a coal-derived-liquid fuel. Energy and Fuels, 22, 3249-3257, 2008.
• Widegren, J.A., Bruno, T.J., Thermal decomposition kinetics of the aviation fuel Jet-A. Ind. Eng. Chem. Res., 47(13): p. 4342-4348, 2008.
• Perkins, R.A., Hammerschmidt, U., Huber, M.L., Measurement and correlation of the thermal conductivity of methylcyclohexane and propylcyclohexane from (300 to 600) K at pressures to 60 MPa. J. Chem. Eng. Data, 53, 2120-2127, 2008.
• Outcalt, S.L., Laesecke, A., freund, M.B., Density and speed of sound measurements of Jet A and S 8aviaton turbine fuels. Energy & Fuels, 23(3), 1626-1633, 2009.
• Widegren, J.A., Bruno, T.J., Thermal decomposition kinetics of propylcyclohexane. Ind. Eng. Chem. Res., 48(2), 654-659, 2009.
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• Conspicuous by its absence is a paper on the thermodynamic model for JP-8.
• The fuel community should consider this unfinished business.