The Python program performs a chemical reaction mechanism reduction using the Cantera library. This is an introductory code on reduction and its effects on different cases.
It does the following:
- Parses Reduction Parameters: It reads reduction parameters like temperature, pressure, and equivalence ratio from a file
Reduction_Parameters.txt
, storing these in a dictionary. - Simulates Ignition Delay and Temperature: For different initial conditions (temperature, pressure, and fuel mixture), it sets up a constant pressure reactor to simulate the ignition process, calculates the ignition delay (time it takes for a significant temperature rise), and records the maximum temperature.
- Sensitivity Analysis: The program uses sensitivity analysis for reactions in the mechanism to determine their importance.
- Mechanism Reduction: It removes unimportant reactions to create a reduced chemical mechanism and reruns the simulation with this reduced mechanism.
- Plots Results: It generates and saves plots comparing ignition delay and maximum temperature against the number of reactions for each test case.
The resulting test cases data is shown below:
Case number | Temperature (Kelvin) | Pressure (Bar) | Equivalence Ratio (No Units) | Reduced mechanism for Ignition Delay (Number of reactions) | Reduced mechanism for Maximum Temperature (Number of reactions) |
---|---|---|---|---|---|
1 | 950 | 3 | 0.5 | 72 | 163 |
2 | 950 | 3 | 1 | 62 | 164 |
3 | 950 | 3 | 1.5 | 63 | 245 |
4 | 950 | 4 | 0.5 | 71 | 155 |
5 | 950 | 4 | 1 | 65 | 199 |
6 | 950 | 4 | 1.5 | 58 | 230 |
7 | 950 | 5 | 0.5 | 65 | 157 |
8 | 950 | 5 | 1 | 67 | 208 |
9 | 950 | 5 | 1.5 | 60 | 244 |
10 | 1050 | 3 | 0.5 | 49 | 180 |
11 | 1050 | 3 | 1 | 43 | 167 |
12 | 1050 | 3 | 1.5 | 99 | 218 |
13 | 1050 | 4 | 0.5 | 57 | 208 |
14 | 1050 | 4 | 1 | 44 | 164 |
15 | 1050 | 4 | 1.5 | 63 | 240 |
16 | 1050 | 5 | 0.5 | 83 | 147 |
17 | 1050 | 5 | 1 | 52 | 158 |
18 | 1050 | 5 | 1.5 | 65 | 231 |
19 | 1150 | 3 | 0.5 | 50 | 149 |
20 | 1150 | 3 | 1 | 72 | 257 |
21 | 1150 | 3 | 1.5 | 66 | 262 |
22 | 1150 | 4 | 0.5 | 57 | 192 |
23 | 1150 | 4 | 1 | 57 | 212 |
24 | 1150 | 4 | 1.5 | 63 | 261 |
25 | 1150 | 5 | 0.5 | 48 | 173 |
26 | 1150 | 5 | 1 | 68 | 226 |
27 | 1150 | 5 | 1.5 | 69 | 252 |