Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of...
Transcript of Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of...
![Page 1: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/1.jpg)
DARS
FUEL MODEL DEVELOPMENT
![Page 2: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/2.jpg)
2
DARS Products (names valid since October 2012)
DARS
0D & 1D tools
Old name: DARS Basic
Stand alone tool for 0D-1D analyses of chemical processes in industrial and scientific devices
DARS
Reactive Flow Models
tools for 3D/ CFD
calculations
- Chemistry module coupled to CFD (STAR-CD and STAR-CCM+)
- Gas phase chemistry and surface chemistry
- TIF: Transient interactive flamelet model coupled to STAR-CD
DARS Fuel
New!
Advanced fuel models
- Libraries and run-time reaction mechanisms for detailed chemistry modeling in conjunction with DARS CFD/TIF
![Page 3: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/3.jpg)
3
DARS (Basic)
Reactors
Homogeneous
CV
CP
PSR
RCM
SRM
(Stochastic Reactor Models)
PSR
SRM-HCCI
SRM-Diesel
SRM SI
DARS
1D Models
Piping
Coolers
After-treatment
Catalytic Converter
Particulate Filter (DPF)
Turbo charging
Flames
Burner stabilized
Freely propagating
Counter Flow
Flamelet
Chemical Mechanisms
Development
Analysis
Reduction
![Page 4: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/4.jpg)
EXAMPLE FOR FUEL MODEL DEVELOPMENT WITH DARS
![Page 5: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/5.jpg)
Outline
• Ethanol-gasoline blend selection
• Ethanol-gasoline chemical mechanism
• DARS mechanism analysis – Sensitivity analysis
– Flow analysis
– Necessity analysis
– Life time analysis
• DARS mechanism reduction
• Ethanol-gasoline dual fuel table generation
![Page 6: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/6.jpg)
ETHANOL-GASOLINE BLEND SELECTION
6
![Page 7: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/7.jpg)
Aspects of surrogate fuel choice
• Real fuels are not consisting of one single component
• The surrogate chemistry needs to be representative of the components present in the real fuel
• Physical properties and chemical properties need to be matched
• Example: ethanol-gasoline fuel mixture
– Standards: DIN EN 228, SS155422
– E5/E10: unleaded gasoline with 5/10% ethanol
– E75/85: Winter/summer mixture containing 75/85% ethanol
7
Gasoline E5 E10 E75 E85
RON 95* 95-98 95-98 101-104**
99-102**
Density (kg/m3) - 750 754 775 785
Aromatic content (%v/v) - 35.0 - - -
Lower heating value (MJ/kg):
- 41.8-43.8
40.9 30.2 29.2
Note: * The base gasoline used for mixing might be of varying quality for different mixtures ** Reported octane numbers for E75/85 are approximations
![Page 8: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/8.jpg)
Methodology
• Find a base gasoline composition which conforms to aromatic content, as well as density, lower heating value and RON when mixed with 5% ethanol.
• RON calculations:
– Modified Linear by Volume (MLbV) [1]: Good approximation for synergetic blending of iso-octane, n-heptane and toluene.
– Linear by Mole Fraction (LbMF) [2]: Shown to yield good results for gasoline/ethanol blends.
• Calculate RON for the gasoline based on the MLbV method, and the effect of the added ethanol by the LbMF method.
8
Calculated liquid volume fraction
Calculated gaseous mole fraction
A1CH3 0.33684 0.45482
I-C8H18 0.50688 0.39753
N-C7H16 0.15628 0.14765
![Page 9: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/9.jpg)
Ethanol-gasoline fuel mixture – properties
9
740 745 750 755 760 765 770 775 780 785 790 795
0 20 40 60 80 100
Den
sity
(kg
/m3
)
% Ethanol (vol.)
Calculated mixture
Reference data
28
30
32
34
36
38
40
42
44
0 20 40 60 80 100
Low
er h
eati
ng
valu
e (M
J/kg
)
% Ethanol (vol.)
Calculated mixture
Reference data (min)
Reference data (max)
94
96
98
100
102
104
106
108
110
112
114
0 20 40 60 80 100
RO
N
% Ethanol (vol.)
Calculated mixture
Reference data (min)
Reference data (max)
Estimate from simple correlation (PREEM)
0
200000
400000
600000
800000
1000000
1200000
200 300 400 500 600
Hea
t o
f va
po
riza
tio
n [
J/kg
]
Temperature [K]
Gasoline
Ethanol
Two components considered for preferential evaporation
![Page 10: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/10.jpg)
ETHANOL/GASOLINE MECHANISM
![Page 11: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/11.jpg)
Ethanol-gasoline mechanism
• C1 to C4 chemistry extensive validated
• Single fuel components validated against a wide range of experiments, such as flames, shock tubes, flow reactors, …
• Sub models for NOx chemistry and soot formation
• Detailed mechanism around 480 species, reduced around 250 species
![Page 12: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/12.jpg)
Mechanism analysis
![Page 13: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/13.jpg)
Sensitivity analysis
13
Reaction r sensitivity with respect to reaction R:
Species s sensitivity with respect to species j:
Variable Y can be: mass fraction of a target species, or temperature of the gas.
kOCHR ]][[ 24
RT
E
na
eTAk
normalized and ranked
of a certain reaction R
![Page 14: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/14.jpg)
Flow analysis
14
Analyses the flow of atoms between species
Atoms fluxes [mol/cm3/sec]
H atom O atom
Graphs are drawn for given limits of the flux (low values of limits give very
branched praphs).
![Page 15: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/15.jpg)
Necessity analysis
15
A combination of sensitivity and flow analysis
![Page 16: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/16.jpg)
Life time analysis
16
Measures the rate of consumption of a species
![Page 17: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/17.jpg)
Mechanism reduction
![Page 18: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/18.jpg)
Use the specific Reduce Mechanism module:
Reduce the mechanism
![Page 19: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/19.jpg)
Remove redundant species according to:
- preset criteria (as the necessity level, calculated within the previous mechanism-analysis step)
OR
- ad-hoc criteria
Reduce the mechanism
![Page 20: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/20.jpg)
• You can export your reduced mechanism
• You can reduce your mechanism in several steps
Options for reduced mechanism
![Page 21: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/21.jpg)
Compare the results obtained with the original vs. the reduced mechanism
In this example: the reduced mechanism gives slightly slower ignition compared to the original mechanism, with a difference of only 2%.
However, the gain in computational time is approximately 90% for this reduced mechanism case.
Analyze reduced mechanisms results
User friendly post-processing interface
![Page 22: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/22.jpg)
ETHANOL-GASOLINE DUAL FUEL TABLE GENERATION
![Page 23: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/23.jpg)
Table generation process
![Page 24: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/24.jpg)
Table generation process
![Page 25: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/25.jpg)
Table generation process
![Page 26: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/26.jpg)
Table generation process
Flame sp
eed
DARS-FUEL tabulated chemistry library
• ECFM-3Z-TKI • Laminar flame speed
• Soot/NOx source terms
![Page 27: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/27.jpg)
ECFM-3Z-TKI tables
![Page 28: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/28.jpg)
ECFM-3Z-TKI Progress variable solver
• Pressure: 40 bar, Tunb: 800 K, Z: 6.22e-2, PRF 95
![Page 29: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/29.jpg)
ECFM-3Z-TKI Tables
• Single fuel table (PRF 95) – Temperature: 101 points between 600 K and 1600 K – Pressure: 8 points between 10 bar and 80 bar – Mixture fraction points: 6 points depending on stoichiometry – EGR points: 5 values between 0 % and 90 % EGR – Temperature segregation: 21 values between 0 and 1 – Around 60 MB data
• Dual fuel table (ethanol-gasoline mixtures) – Temperature: 41 points between 600 K and 1600 K – Pressure: 11 points between 10 bar and 200 bar – Mixture fraction points: 16 points depending on stoichiometry – EGR points: 5 values between 0 % and 90 % EGR – Temperature segregation: 21 values between 0 and 1 – Fuel composition points: 11 values between 0 and 1 (mass fraction ethanol) – Around 400 MB data
![Page 30: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/30.jpg)
Laminar Flame Speed Tables
• Single fuel table (PRF 95) – 0.2 ≤ Φ ≤ 4.0 [-] – 300 ≤ Autoignition T [K] – 1 ≤ P ≤ 130 [bar] – 0 ≤ EGR ≤ 50 [%] – laminar flame speed above 1 cm/s
• Dual fuel table (ethanol-gasoline mixtures) – 0.2 ≤ Φ ≤ 4.0 [-] – 300 ≤ Autoignition T [K] – 1 ≤ P ≤ 130 [bar] – 0 ≤ EGR ≤ 50 [%] – laminar flame speed above 1 cm/s – Ethanol/gasoline fuel fraction 0-1
0
20
40
60
80
100
0 0.5 1 1.5 2 2.5 3 3.5 4
LFS
[cm
/se
c]
Equivalence ratio
![Page 31: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/31.jpg)
Soot/NOx tables
• Single fuel table (PRF 95) – Flamelet oxidizer temperature: 300 – 1200 K in steps of 100 K – Logarithmic stepping, 1 – 200 bar, 9 points – Mixture fraction points: 0-1, 101 points – EGR points: 11 values between 0 % and 50 % EGR – Scalar dissipation rate points: 0 – extinction [1/s]
• Dual fuel table (ethanol-gasoline mixtures) – Flamelet oxidizer temperature: 300 – 1200 K in steps of 100 K – Logarithmic stepping, 1 – 200 bar, 9 points – Mixture fraction points: 0-1, 101 points – EGR points: 11 values between 0 % and 50 % EGR – Scalar dissipation rate points: 0 – extinction [1/s] – Fuel composition points: 11 values between 0 and 1 (mass fraction ethanol)
![Page 32: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/32.jpg)
DARS Fuel
Accurate reaction schemes – ready to use! – Plug in to STAR-CD, STAR-CCM+,
DARS-TIF – No additional work needed
Free basic mechanism for TIF/PVM – Diesel – Gasoline – Requires a DARS license
Free basic libraries for ECFM
– Diesel – Gasoline
Other fuels are available as library on license base
– Pure components – Multicomponent mixture
– Dual fuel libraries
Group Chemistry Reference fuel for
Oxygenated methanol, ethanol, propanol Gasoline, Bio fuels
Mono aromats
toluene, m-xylene Gasoline, Diesel, Jet
Larger aromats
a-methylnaphtalene Diesel, Jet
Linear alkanes n-heptane, n-decane Gasoline, Diesel, Jet
Branched alkanes
iso-butane, iso-butene, iso-pentane, iso-octane, iso-dodecane
Gasoline, Diesel, Jet
Ester methyldecanoate Biodiesel
Additives DME Gasoline
Other methane, ethane, propane, butane, pentane, neo-Pentane, ethylene, acetylene, propene, hydrogen and others
Natural gas, Biomass to gas / liquid, turbines
Emission NOx, soot, formaldehyde, unburnt HC and other
Combinable with all fuels
![Page 33: Grand title of project - Siemensmdx2.plm.automation.siemens.com/sites/default/files...Aspects of surrogate fuel choice • Real fuels are not consisting of one single component •](https://reader030.fdocuments.net/reader030/viewer/2022040720/5e2aeefef31fb402f4300ce2/html5/thumbnails/33.jpg)
33
DARS v2.08 – Try it today!
www.loge.se www.cd-adapco.com