|
Species x
i
|
∂ ln [x
i
]/∂ k1 at 1 s
|
∂ ln [x
i
]/∂k1 at 20 s
|
|---|
| |
IDM
|
R/DM
|
our algorithm
|
IDM
|
R/DM
|
our algorithm
|
|---|
|
CH
3
|
1.000
|
1.000
|
0.99986
|
1.000
|
1.000
|
1.00000
|
|
CH
4
|
0.976
|
0.976
|
0.97625
|
0.644
|
0.644
|
0.64350
|
|
C
2
H
4
|
0.680
|
0.680
|
0.68039
|
0.324
|
0.323
|
0.32348
|
|
C
2
H
5
|
0.662
|
0.662
|
0.66149
|
-0.209
|
-0.210
|
-0.20950
|
|
C
2
H
6
|
-0.044
|
-0.044
|
-0.04425
|
-0.819
|
-0.819
|
-0.81896
|
|
H
|
0.478
|
0.478
|
0.47783
|
0.091
|
0.091
|
0.09053
|
|
H
2
|
0.602
|
0.602
|
0.60214
|
0.221
|
0.221
|
0.22098
|
- A tolerance of 10-8 is used for R/DM. A fourth-order adaptive Rosenbrock algorithm is used for integration and ± 5% variations of k1 are used in the computation of the sensitivities w.r.t. k1 using indirect method.
