Instructions to set up temperature sensitivity in Chemkin 1. Double-click on the Output Control in the Open Projects tree. 2.

To select the sensitivity analysis, on the Output Control tab under the Basic tab, select Temperature A-factor Sensitivity. 3. Begin the analysis by opening the Run Calculations panel. Then select Model and click Begin. 3. Once the run has completed successfully, click Analyze Results in the Project Tree and click Next Step on the Analyze Results panel. 5. On the Select Post-Processing Variables panel, click Sens. Check the box next to Temperature, and then click Process Solution Data. 6. In the Post-Processor control panel, use the Plot Set pull-down menu to select sensitivity for solution no1. 7. Select: Distance for the X Variable and all of the surface reaction sensitivities that are listed as Y variables. 8. Click Display Plot.

The sensitivity analysis was performed on temperature of the Arrhenius pre-exponential factors (A-factors) of the various reaction-rate constants and species heats of formation. The Arrhenius equation describes the relationship between the rate constant (k) of a chemical reaction, the activation energy of a reaction (Ea) and temperature (T) in absolute temperature Kelvin or Rankin
( )

(1)

where R is the gas constant and A is the pre-exponential factor or A-factor. The A-factor is specific to each reaction and represents how many collisions occur between reactants when all concentrations are 1 mol/L and on whether the molecules are properly oriented when they collide. Chemkin uses a Jacobian matrix for the purpose of solving nonlinear equations. Once the Jacobian is formed the sensitivity coefficients can be easily calculated. The sensitivity coefficients examined are for the A-factor temperature sensitivity in order to determine the surface equations responsible for the decrease in temperature seen in the opposed diffusion flame model discussed. In order to determine the partial differential equation need to perform the analysis the following governing equation is formed for the sensitivity coefficients at steady state, F(();)=0 (2)

The above governing equation may depend on the solution variables or on a set of model parameters, . The s are considered to represent the pre-exponential A-factor in the Arrhenius reaction-rate expressions discussed in the above paragraph with F being the residential vector and the solution vector. To obtain a matrix equation for the sensitivity coefficients the above equation is differentiated with respect to an . | The matrix F/ is the Jacobian of the original system and F/ is the matrix of the partial derivatives of F with repect to the parameter. The sensitivity coefficients are defined as F/ . The sensitivity coefficient matrix F/ contains quantitative information on how each reaction-rate coefficient affects the temperature and species fractions. (3)