Scale-up Suite Help
Select reaction parameters to be fitted

About reaction parameters

Reaction parameters set on the process sheet (and not overridden on the Scenarios sheet) have the same values in all Scenarios.

Reaction parameters that can be selected for fitting include:

Selecting which parameters to fit

The choice of parameters to be fitted will depend strongly on the data available.  For example if one isothermal experiment was done, then activation energies cannot be fitted since this requires data at more than one (and preferably at least three) temperatures.

The most common parameters to be fitted will be the rate constants and activation energies.  Normally reaction heats and reaction orders are either known or can be estimated.  Non-integer reaction orders indicate missing reactions from the reaction scheme and fitting of these is not usually recommended

Show me more on the workflow of fitting kinetics.

Adding reaction parameters to be fitted

  1. Click on the Select Reaction Parameters button  in the View toolbar.
  2. The window displays the parameters for selection, but not their values.
  3. Double-click on the reaction parameter you want to fit. To add reaction orders or exotherms to the list, click on the value in the dHr or Orders column and then double-click.
  4. The parameter, its initial (guessed) value and its unit are added to the list of parameters to be fitted in the main fitting window.