Equilibrium Reaction Kinetics Dialog

RxnEquilibriumKineticsDlg.jpg

This dialog appears when you click on the reaction kinetics button rxnKint00175.bmp from the reaction tab of the following operations:

●      Batch Equilibrium Reaction

●      Continuous Equilibrium Reaction

Variable Definitions, Ranges and Default Values

The following table shows a brief description of the variables appearing in this dialog. The table also displays their default values and their generally acceptable range:

Variable

Default Value

Range

 

○ Reaction Order Exponent
For each reacting component the reaction order exponent is set.

0.0

Any Number

Equilibrium Constant parameters:

 

 

○ Options
The equilibrium constant can be either set by the user or calculated by the equation Keq = exp(A + B/T).

Set by User

Set / Calc

○ Parameter (A)
User specified constant

0.0

Any Number

○ Parameter (B) (K)
User specified constant

0.0

Any Number

Symbol Key: ○ User-specified value (always input); ● Calculated value (always output); ◙ Sometimes input, sometimes output

Specification Choices / Comments

The following describes the available specification choices in this dialog; for more details on how these are implemented, please view see Equilibrium Reaction Operations: Modeling Calculations.

Only components with a non-zero exponent affect the equilibrium of the reaction. The concentrations of all components with a non-zero exponent are multiplied and the solution algorithm tries to make that product equal to the set or calculated equilibrium constant.

The equilibrium constant is either specified by the user or calculated (as a function of temperature) based on the specified values of parameters A and B.