Use this window to define the reactions that make up a Reaction Set.
Usage
Select the default method for calculating kinetic reaction rates for the current reaction set. By default, reaction rates are calculated by the Power Law Rate Equation:
For example, in the reaction:
then,
where aA , aB, etc. are the activities of components A, B etc. You may express Activity as Activity Coefficient, Molar Concentration, Fugacity or Partial Pressure.
You may change this Calculation Method for the selected reaction set by specifying that the rate will be calculated by a Kinetic Procedure or by a User Added Subroutine. For a Kinetic Procedure, you must select the Name of a procedure which has already been defined in the Procedure Data. For a User Added Subroutine, you must select the Name for a subroutine which has been linked into your version of PRO/II.
This default option may be changed in a reactor or reactive distillation unit operation.
Each row of the table represents a Reaction that is present in the Reaction Set whose name and description are displayed at the top of the window.
Name
You must enter a 12 character (or fewer) Name for the Reaction. The Name must be unique within this Reaction Set.
Definition
The reaction is defined by its chemical equation. Until you define an equation, this cell contains the text "Reactants = Products". Click on this text to display the Reaction Components Window where you enter details of the reactants, products and stoichiometry.
This cell is available only when a Reaction Name has been entered.
H... E... K...
Push the H... button to display the Heat of Reaction Data Window where you enter a Description of the Reaction and specify the method of calculation of, and data for, Heat of Reaction.
Push the E... button to display the Reaction Equilibrium Data Window where you specify Equilibrium reaction equation data.
Push the K... button to display the Reaction Kinetic Data Window where you specify Kinetic reaction equation data.
These buttons are not available until the Reaction has been defined in the Reaction Components Window.
How to get to this window
The Reaction Data - Reaction Definitions window is accessed by pushing the Enter Data... button on the Reaction Data Sets Window.