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Model Selection
1. Create new project or Open an existing one 2. Select a model type WSR/PSR Plug flow reactor PREMIX (Laminar premixed flames) OPPDIFF (Laminar opposed flow flame)
Create Project
3. Select Pre-Processing
2. Update project
Pre-Processing
3. Run Pre-Processor
2. Select chemistry set from drop down list If using your own, create a New Chemistry Set
2a. Need to specify Kinetics (chemical reactions), Thermodynamics and Transport data file for New Chemistry Set
Mechanism Files
Thermodynamics
NASA polynomial curve-fit coefficients (over two temperature ranges)
Transport
Lennard-Jones potentials
Reactor Properties
1. Select the reactor to modify 2. Include thermal diffusion 3. Use multicomponent transport 4. Specify initial temperature
5. Specify pressure
Reactor Properties
Inlet Conditions
1. Select inlet
2. Specify inlet velocity (estimate) A good guess will be close to the expected flame speed. If you run into problem with convergence, this will be the first guess to modify.
Inlet Conditions
2. Specify reactant composition (default is # of moles or mole fraction) This example is for CH4-air at equivalence ratio 1.
Refining Solution
2. Under initial grid properties Select and provide value for following parameters
1. Select Continuations We will set 1 continuation To modify the initial grid
Note that we are increasing the domain size so that all properties reach equilibrium values. We did not do so before, to reduce computation time. Also we have refined how fine the final solution will be by reducing both Adaptive Grid Control Based on Solution Gradient and Curvature to 0.1. For the project make sure you use these values.
Processing results
Exporting Solution
Select appropriate solution set to export. You may have to export different solutions separately
Result
CH3 mole fraction in a CH4-air flame. The solid section of the blue curve represent region where rate of production of CH3 is positive. Note that in your solution do not plot the profiles over the whole domain of solution, only focus on region where the flame is. All profiles will eventually flatten out, if they do not, then the solution is incorrect.