Toluene and Benzene

Toluene and Benzene Experimental Data

NOTE: This dataset has to be interpreteded in conjunction with the article below:
G. Mittal and C. J. Sung, “Autoignition of Toluene and Benzene at Elevated Pressures in a Rapid Compression Machine,” Combustion and Flame 150, 355-368 (2007).┬ádoi:10.1016/j.combustflame.2007.04.014

Toluene Autoignition

P0 = Initial pressure

T0 = Initial temperature

PC = Pressure at TDC

TC = Temperature at TDC

Molar composition: toluene/O2/N2/Ar = 0.5/4.5/5.25/41.75, Equivalence ratio =1.0

Experimental pressure traces for PC=45 bar (approximately)

P0 (torr)

T0 (K)

TC (K)

Ignition delay (ms)

751

297

1091.5

2.6

795

297

1067

4.7

851

297

1045

8.5

907

297

1022.2

17.1

977

297

998.5

37.5

1060

297

971

107.3

Molar composition: toluene/O2/N2/Ar = 0.5/9/0/42.5, Equivalence ratio =0.5

Experimental pressure traces for PC=45 bar (approximately)

TC (K)

Ignition delay (ms)

1093

0.9

1060

2.1

1017

6.3

997.7

11.1

970.3

27.3

920.4

248

Benzene Autoignition

Molar composition: benzene/O2/N2/Ar =0.5/3.75/7.87/39.88, Equivalence ratio =1.0

Experimental pressure traces for PC=45 bar (approximately)

P0 (torr)

T0 (K)

TC (K)

Ignition delay (ms)

736

298.8

1105.0

6.3

757

298.8

1092.8

10.4

778

298.8

1082.9

20.7

805

298.8

1073.4

43.9

833

298.8

1057.0

134

Molar composition: benzene/O2/N2/Ar =0.5/3.75/7.87/39.88, Equivalence ratio =0.5

Experimental pressure traces for PC=45 bar (approximately)

P0 (torr)

T0 (K)

TC (K)

Ignition delay (ms)

736

298.2

1102.74

3.4

778

298

1080

11.3

805

298.2

1071.22

17.6

833

297.8

1053.49

40.8

865

297.7

1043.35

109

Simulation Procedure

  • Use the following program as the driver program for SENKIN: driver.f
  • Specify initial pressure (P0), temperature (T0), composition in the SENKIN input file with VTIM keyword for calculations.
  • Copy the file hl.txt, which contains parameters for heat loss, for the specific case in the program directory.
  • Run the program

Note: Heat loss parameters are in the form of a polynomial. At long time after compression the polynomial may blow up to erroneous values. SENKIN calculations should be performed to a reasonable time which is sufficient for ignition to occur.

Heat Loss Parameters

Toluene Autoignition

Molar composition: toluene/O2/N2/Ar = 0.5/4.5/5.25/41.75, Equivalence ratio =1.0

Molar composition: toluene/O2/N2/Ar = 0.5/9/0/42.5, Equivalence ratio =0.5

For both above-mentioned compositions, the following parameters can be used.

PC = 45 bar

P0 (torr)

T0 (K)

TC (K)

hl.txt

751

297

1091

hl.txt

851

297

1044

hl.txt

977

297

999

hl.txt

1060

297

971

hl.txt

Benzene Autoignition

Molar composition: benzene/O2/N2/Ar =0.5/3.75/7.87/39.88, Equivalence ratio =1.0

Molar composition: benzene/O2/N2/Ar =0.5/3.75/7.87/39.88, Equivalence ratio =0.5

For both above-mentioned compositions, the following parameters can be used.

PC = 45 bar

P0 (torr)

T0 (K)

TC (K)

hl.txt

736

298.8

1105

hl.txt

833

298.8

1057

hl.txt

956

298.8

1011.5

hl.txt