F.1. Table Library Option

For more complex fuel mixtures, high levels of EGR, or pressures and temperatures that may be outside of the available experimental range, the Table Library option allows more general accounting of flame-speed dependencies.

With increasing fuel variability, the effects of fuel composition on flame speeds need to be captured accurately. Gasoline, for example, consists of hundreds of components; representing the behavior of gasoline may require 3–8 components. Ansys Forte comes installed with pre-built laminar flame-speed tables for 64 surrogate fuels as part of the Table Library option. The fuels covered in the Table Library option represent several classes: families of n-alkanes, iso-alkanes, cyclo-alkanes, alkenes, cyclo-alkene, iso-alkene, aromatics, ethers, cyclo-ethers, alcohols, and methyl esters. The fuels are listed in Table 1: Fuels for which prebuilt laminar flame speeds are available as part of the Table Library option.

Table 1: Fuels for which prebuilt laminar flame speeds are available as part of the Table Library option

Chemical family

Surrogate fuel common name

Symbolic name

n-alkane

Methane

ch4

 

Ethane

c2h6

 

Propane

c3h8

 

n-Butane

c4h10

 

n-Pentane

nc5h12

 

n-Hexane

nc6h14

 

n-Heptane

nc7h16

 

n-Nonane

nc9h20

 

n-Decane

nc10h22

 

n-Dodecane

nc12h26

 

n-Tetradecane

nc14h30

 

n-Hexadecane

nc16h34

iso-Alkane

iso-Butane

ic4h10

 

iso-Pentane

ic5h12

 

iso-Hexane

ic6h14

 

iso-Octane

ic8h18
 2,3,3-Trimethylpentanei233c8h18
 2,3,4-Trimethylpentanei234c8h18

 

iso-Dodecane

ic12h26

 

Heptamethyl nonane (HMN)

hmn

cyclo-Alkane

Methyl cyclohexane (MCH)

mch
 Cyclopentanecpt

 

Cyclohexane

chx
 n-Butylcyclohexanenbch

 

Decalin

decalin
AlkeneEthylenec2h4
 Propenec3h6
 Allenec3h4-a
 1,3-Butadienec4h6

 

1-Pentene

c5h10-1

 

2-Pentene

c5h10-2

 

1-Hexene

c6h12-1

 

2-Hexene

c6h12-2

 

3-Hexene

c6h12-3
AlkynesAcetylenec2h2
 Propynec3h4-p

cyclo-Alkene

Cyclopentadiene

cy13pd

iso-Alkene

2-Methyl-2-butene

bc5h10
 DIB-1jc8h16
 DIB-2ic8h16

Aromatics

Toluene

c6h5ch3

 

n-Propylbenzene

c6h5c3h7

 

n-Butylbenzene 

a1c4h9

 

Ethylbenzene

c6h5c2h5

 

o-Xylene

o-xylene

 

p-Xylene

p-xylene

 

m-Xylene

m-xylene

 

1,2,4-Trimethyl benzene (TMB)

tmb124

 

1-Methylnaphthalene (AMN)

a2ch3

Ether

Dimethyl ether (DME)

ch3och3

 

Methyl tert-butyl ether (MTBE)

mtbe
 Ethyl tert-butyl-ether (ETBE)etbe

cyclo-Ether

Tetrahydrofuran (THF)

c4h8o1-4

 

Ethyl tetrahydrofurfuryl ether (ETFE)

etfe

Methyl ester

Methyl butanoate

mb

 

Methyl crotonate

mb2d

Alcohol

Methanol

ch3oh

 

Ethanol

c2h5oh
 n-Propanolnc3h7oh

 

n-Butanol

nc4h9oh
 iso-Butanolic4h9oh

Other

CO

co

 

Hydrogen

h2
 Ammonianh3

In addition to fuel effects, the operating conditions of equivalence ratio, temperature, pressure, and EGR affect flame speeds. With wider operating regimes, including fuel stratification and boosted conditions, it is difficult to predict the correct trends of flame speeds using correlations. For the 64 surrogate fuels that are part of the Table Library option, flame speeds have been calculated over a wide range of operating conditions. The Ansys Forte laminar flame-speed tables were generated using the Ansys Chemkin [5] Flame-speed Table Generator. This Chemkin option uses an adiabatic, premixed, laminar flame-speed calculator to determine the flame speeds over a range of conditions for a particular fuel component, employing detailed (high-temperature) kinetics for the fuel-combustion.

The conditions that can be varied include: fuel-air equivalence ratio, initial temperature of the unburned gas, pressure, and dilution rate (for simulated EGR). For the pre-built flame speed tables available as part of the Table Library option, the conditions covered for the built-in tables are summarized in Table 2: Mixture conditions covered by the built-in laminar flame-speed tables available in the Table Library option.

Table 2: Mixture conditions covered by the built-in laminar flame-speed tables available in the Table Library option

Parameter varied

Range of values

Number of values

Equivalence ratio

0.3-2

18

Pressure (bar)

1-150

15

Unburned temperature (K)

300-1200

17

Dilution (EGR) rate

0-40%

6


When conditions are encountered outside of the range described in Table 2: Mixture conditions covered by the built-in laminar flame-speed tables available in the Table Library option, the flame speed is determined by sampling points within the table, and creating a linear-least-square fit of a power law / Gulder equation that can be used to extrapolate to the given conditions.

Using pure-fuel flame speeds and local fuel composition in the CFD simulation, multicomponent-fuel flame speeds are calculated on-the-fly using non-linear blending of the single-component values [26]. This Table Library option provides:

  • Simplicity in the user input required for the CFD simulation (only fuel composition is required).

  • A high degree of accuracy afforded by the Ansys Chemkin-generated flame-speed library for an extensive range of fuel components.

  • The automation of the blending without compute performance penalty.