Table 2 Box-Behnken design and the responses from MD simulation
Run | Factor 1 | Factor 2 | Factor 3 | Response 1 | Response 2 |
|---|---|---|---|---|---|
O2/C ratio | H2O/C | Temperature | MR | IF | |
mol/mol | mol/mol | K | % | % | |
1 | 0.93 | 2.79 | 4000.00 | 100 | 82.79 |
2 | 2.79 | 2.79 | 3600.00 | 100 | 77.87 |
3 | 2.79 | 2.79 | 3600.00 | 100 | 77.87 |
4 | 2.79 | 0.93 | 4000.00 | 100 | 72.95 |
5 | 2.79 | 4.5 | 4000.00 | 100 | 81.97 |
6 | 2.79 | 2.79 | 3600.00 | 100 | 73.77 |
7 | 2.79 | 2.79 | 3600.00 | 100 | 77.87 |
8 | 0.93 | 4.5 | 3600.00 | 100 | 82.79 |
9 | 2.79 | 2.79 | 3600.00 | 100 | 77.87 |
10 | 2.79 | 0.93 | 3200.00 | 100 | 72.95 |
11 | 4.65 | 0.93 | 3600.00 | 100 | 68.03 |
12 | 4.65 | 2.79 | 4000.00 | 100 | 83.61 |
13 | 0.93 | 0.93 | 3600.00 | 100 | 68.85 |
14 | 2.79 | 4.65 | 3200.00 | 100 | 81.97 |
15 | 4.65 | 4.65 | 3600.00 | 100 | 78.69 |
16 | 4.65 | 2.79 | 3200.00 | 100 | 84.43 |
17 | 0.93 | 2.79 | 3200.00 | 100 | 82.79 |
