Reduced kinetic model for the combustion of n-cetane and heptamethylnonane based on a primary reference fuel reduced kinetic model

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(a) pi = 2MPa

Figure 1

(b) pi = 4MPa

Change of ignition delay time τ against initial temperature for various fuels

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1100

Ti

900

700

Tamb=1100K

1000K

900K

800K

700K

500 T =350K

fuel

n-heptane

300

Figure 2

Adiabatic mixing temperature

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(a) pi = 2MPa

Figure 3

(b) pi = 4MPa

Change of ignition delay time τ for adiabatic mixed mixture

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Injector

Thermocouple

Exhaust

valve

Intake valve

Stirrer

φ80

Combustion

chamber

Pressure

sensor

Spark plug

(a) Vessel configuration

Figure 4

(b) Calculation grid system

Constant volume vessel and grid system for calculation

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(a) Temperature distribution

Figure 5

(b) Temperature profile at A-A’ cross cut

Example of temperature distribution at injection timing

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(a) pi = 2MPa

Figure 6

(b) pi = 4MPa

Change of spray tip penetration xtip and droplet penetration xdrp

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pi = 2MPa, Ti = 900K

CN = 90

CN = 40

Inj. duration

dp/dt

Inj. duration

(a) pi = 2MPa, Ti = 900K

pi = 4MPa, Ti = 900K

CN = 90

CN = 40

Inj. duration

dp/dt

Inj. duration

(b) pi = 4MPa, Ti = 900K

Figure 7

Change of pressure p-pi and pressure rise rate dp/dt

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(a) Constant temperature surface (T=2000K) for CN = 40

(b) Shadow graph image for combustion process (CN = 45)

Figure 8

Spray development and combustion process

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Figure 9

Change of ignition delay time τ against mass fraction of n-cetane

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Table 1

Reaction systems of larger molecular parts for n-cetane, HMN, n-heptane

and i-octane

n-cetane Low Temperature Reactions

No.

Ea

C16H34 + OH

=>

C16H33 + H2O

6.000E+14

0.00

3.000E+03

C16H33 + O2

C16H33O2

4.000E+13

0.00

0.000E+00

2.510E+13

0.00

2.740E+04

1.510E+11

0.00

1.900E+04

1.000E+11

0.00

1.100E+04

3.160E+11

0.00

0.000E+00

2.510E+13

0.00

2.740E+04

Rev /

C16H33O2

C16H32OOH

Rev /

C16H32OOH + O2

O2C16H32OOH

Rev /

O2C16H32OOH

=>

C16KET +OH

8.910E+10

0.00

1.700E+04

C16KET

=>

C14H29CO + CH2O + OH

3.980E+15

0.00

4.300E+04

C14H29CO + O2

=>

C7H14+C7H14+CO+HO2

3.160E+13

0.00

1.000E+04

C16H34 + O2

C16H33 + HO2

2.000E+16

0.00

4.600E+04

1.000E+12

0.00

0.000E+00

6.320E+13

0.00

6.000E+03

3.160E+11

0.00

1.950E+04

Rev /

C16H33 + O2

C16H32 + HO2

Rev /

10

C16H32 + O2

=>

C14H29 + CH2O + HCO

3.160E+13

0.00

1.000E+04

11

C16H34 + HO2

C16H33 + H2O2

1.000E+13

0.00

1.695E+04

12

C16H33

=>

C14H29 + C2H4

2.500E+13

0.00

2.881E+04

13

C14H29

C5H11+C3H6+3C2H4

1.138E+15

-0.42

2.701E+04

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HMN Low Temperature Reactions

No.

Ea

14

IC16H34 + OH

=>

IC16H33 + H2O

6.000E+13

0.00

3.000E+03

15

IC16H33 + O2

IC16H33O2

5.000E+12

0.00

0.000E+00

2.510E+13

0.00

2.740E+04

1.510E+11

0.00

2.180E+04

1.000E+11

0.00

1.100E+04

1.264E+12

0.00

0.000E+00

2.510E+13

0.00

2.740E+04

Rev /

16

IC16H33O2

IC16H32OOH

Rev /

17

IC16H32OOH + O2

IO2C16H32OOH

Rev /

18

IO2C16H32OOH

=>

IC16KET +OH

8.910E+10

0.00

1.700E+04

19

IC16KET

=>

IC14H29CO + CH2O + OH

3.980E+15

0.00

4.300E+04

20

IC14H29CO + O2

=>

IC8H17+C3H6+C3H5+CO+HO2

3.160E+13

0.00

1.000E+04

21

IC16H34 + O2

IC16H33 + HO2

1.000E+15

0.00

4.600E+04

1.000E+12

0.00

0.000E+00

3.160E+13

0.00

6.000E+03

3.160E+11

0.00

1.950E+04

Rev /

22

IC16H33 + O2

IC16H32 + HO2

Rev /

23

IC16H32 + O2

=>

IC14H29 + CH2O + HCO

3.160E+13

0.00

1.000E+04

24

IC16H34 + HO2

IC16H33 + H2O2

1.000E+13

0.00

1.695E+04

25

IC16H33

=>

IC14H29 + C2H4

3.617E+17

-1.27

2.970E+04

26

IC14H29

IC8H17 + C3H6 + C3H6

7.204E+13

-0.03

2.790E+04

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n-heptane Low Temperature Reactions

No.

Ea

27

C7H16 + OH

=>

C7H15 + H2O

2.400E+14

0.00

3.000E+03

28

C7H15 + O2

C7H15O2

6.000E+12

0.00

0.000E+00

2.510E+13

0.00

2.740E+04

1.510E+11

0.00

1.900E+04

1.000E+11

0.00

1.100E+04

3.160E+11

0.00

0.000E+00

2.510E+13

0.00

2.740E+04

Rev /

29

C7H15O2

C7H14OOH

Rev /

30

C7H14OOH + O2

O2C7H14OOH

Rev /

31

O2C7H14OOH

=>

C7KET +OH

8.910E+10

0.00

1.700E+04

32

C7KET

=>

C5H11CO + CH2O + OH

2.388E+15

0.00

4.300E+04

33

C5H11CO + O2

=>

C3H7 + C2H3 + CO + HO2

3.160E+13

0.00

1.000E+04

34

C7H16 + O2

C7H15 + HO2

1.000E+16

0.00

4.600E+04

1.000E+12

0.00

0.000E+00

12.64E+12

0.00

6.000E+03

3.160E+11

0.00

1.950E+04

Rev /

35

C7H15 + O2

C7H14 + HO2

Rev /

36

C7H14 + O2

=>

C5H11 + CH2O + HCO

3.160E+13

0.00

1.000E+04

37

C7H16 + HO2

C7H15 + H2O2

1.000E+13

0.00

1.695E+04

38

C7H15

=>

C5H11 + C2H4

2.500E+13

0.00

2.881E+04

39

C5H11

C3H7 + C2H4

1.138E+15

-0.42

2.701E+04

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i-octane Low Temperature Reactions

No.

Ea

40

IC8H18 + OH

=>

IC8H17 + H2O

6.000E+13

0.00

3.000E+03

41

IC8H17 + O2

IC8H17O2

18.00E+12

0.00

0.000E+00

2.510E+13

0.00

2.740E+04

1.510E+11

0.00

2.180E+04

1.000E+11

0.00

1.100E+04

3.160E+11

0.00

0.000E+00

2.510E+13

0.00

2.740E+04

Rev /

42

IC8H17O2

IC8H16OOH

Rev /

43

IC8H16OOH + O2

IO2C8H16OOH

Rev /

44

IO2C8H16OOH

=>

IC8KET + OH

8.910E+10

0.00

1.700E+04

45

IC8KET

=>

C6H13CO + CH2O + OH

3.980E+14

0.00

4.300E+04

46

C6H13CO + O2

=>

C3H6 + C3H6 + CO + HO2

3.160E+13

0.00

1.000E+04

47

IC8H18 + O2

IC8H17 + HO2

1.000E+16

0.00

4.600E+04

1.000E+12

0.00

0.000E+00

9.480E+12

0.00

6.000E+03

3.160E+11

0.00

1.950E+04

Rev /

48

IC8H17 + O2

IC8H16 + HO2

Rev /

49

IC8H16 + O2

=>

C6H13 + CH2O + HCO

3.160E+13

0.00

1.000E+04

50

IC8H18 + HO2

IC8H17 + H2O2

1.000E+13

0.00

1.695E+04

51

IC8H17

=>

C6H13 + C2H4

3.617E+17

-1.27

2.970E+04

52

C6H13

C3H7 + C3H6

7.204E+13

-0.03

2.790E+04

...