Use this window to define the data for Equilibrium reactions.
The composition of the feeds and products of a reaction at equilibrium are calculated from the equilibrium constant, K, by the following equation:
For example, in the reaction:
then,
where aA , aB etc. are the activities of components A, B etc.
PRO/II expresses Liquid Activity in terms of Molar Concentrations and Vapor Activity as Partial Pressures.
You define the equilibrium constant K by entering the coefficients A, B, etc., of the equation:
You can impose an approach to equilibrium in an individual Equilibrium Reactor in the Equilibrium Reactor - Extent of Reaction Window.
Usage
The equation and the names of the Reaction Set and Reaction are presented for information.
Check the Define Equilibrium Data option to enter data in this window.
Equilibrium Coefficients
Enter at least one of the eight coefficients of the equilibrium constant equation.
Units
You may change the units of the equation. Click on the highlighted text to change the selection of Temperature, Weight, Volume or Pressure units for the equilibrium constant equation.
Equilibrium Constant Expression
Select the default phase in which the reaction takes place as Vapor or Liquid. You cannot select a phase until you have entered at least one equilibrium constant equation coefficient.
The Liquid Activity Basis may be Mole Fraction, Concentration or Mass Fraction. Select the default basis for the equilibrium equation from the drop down list.
The Vapor Activity Basis may be Mole Fraction, Vapor Pressure, Concentration or Mass Fraction. Select the default basis for the equilibrium equation from the drop down list.
You may override the default activity exponent or activity phase for individual components. Press this button to open the Activity Exponent and Activity Phase Window.
How to get to this window
The Reaction Data - Reaction Equilibrium Data window is accessed by pushing the E... button on the Reaction Definitions Window.