Toluene and Benzene Experimental Data
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) — toluene-ptrace-45bar
|
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) — benzene-ptrace-45bar-phi-1
|
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) — benzene-ptrace-45bar-phi-1
|
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 |
|
|
851 |
297 |
1044 |
|
|
977 |
297 |
999 |
|
|
1060 |
297 |
971 |
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 |
|
|
833 |
298.8 |
1057 |
|
|
956 |
298.8 |
1011.5 |