Chemical Mechanisms Optimizer

5/08/2017 Jordan Lee ([email protected])1 #About Mechanisms Optimizer
The optimizer optimizes reaction rate parameters(pre-exponential and activation energyterms) in the selected reactions in the chemicalmechanism in Chemkin format. The optimizerruns in MATLAB framework. Chemkin homogeneous reactor simulationsare usedto calculate 0-D ignition delay time.

2 Files description in the optimizer

The homogeneous reactor code in Chemkin is used. For a detailed description on this code, please refer to CHEMKIN ignition delay calculations manual. The flow chart of the entire process is as below.In whole, the optimizer is composed of sensitivity analysis sectionand